N-[(5Z)-6-(aminomethyl)-3-methyl-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-1-methylpiperidin-4-amine

C17H27N3 — CID 88905238

IUPACN-[(5Z)-6-(aminomethyl)-3-methyl-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-1-methylpiperidin-4-amine
SMILESC=C/C=C1/C=C(C)C=C(NC2CCN(C)CC2)C1CN
InChIInChI=1S/C17H27N3/c1-4-5-14-10-13(2)11-17(16(14)12-18)19-15-6-8-20(3)9-7-15/h4-5,10-11,15-16,19H,1,6-9,12,18H2,2-3H3/b14-5-
InChIKeyAJBPNKJRECWQOC-RZNTYIFUSA-N
MW273.42 g/mol
LogP2.20
Rot. Bonds4

About N-[(5Z)-6-(aminomethyl)-3-methyl-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-1-methylpiperidin-4-amine

N-[(5Z)-6-(aminomethyl)-3-methyl-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-1-methylpiperidin-4-amine (PubChem CID 88905238) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[(5Z)-6-(aminomethyl)-3-methyl-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(5Z)-6-(aminomethyl)-3-methyl-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-1-methylpiperidin-4-amine
PubChem CID88905238
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-[(5Z)-6-(aminomethyl)-3-methyl-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-1-methylpiperidin-4-amine
SMILESC=C/C=C1/C=C(C)C=C(NC2CCN(C)CC2)C1CN
InChIInChI=1S/C17H27N3/c1-4-5-14-10-13(2)11-17(16(14)12-18)19-15-6-8-20(3)9-7-15/h4-5,10-11,15-16,19H,1,6-9,12,18H2,2-3H3/b14-5-
InChIKeyAJBPNKJRECWQOC-RZNTYIFUSA-N
XLogP2.20
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(5-fluorocyclohexa-1,5-dien-1-yl)-2-methyl-N-piperidin-4-yl-3,8a-dihydro-1H-isoquinolin-8-amine
CID 68244407
N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70311004
N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70325320
N-[(5Z,6E)-3-(4-amino-3-fluorocyclohexa-2,4-dien-1-yl)-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085321
N-[(5Z,6E)-3-[(1E,3E)-1-amino-4-fluorohexa-1,3,5-trien-2-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085334
N-[(5Z,6E)-6-(aminomethylidene)-3-(4-fluoro-3-methyl-1,2-dihydropyridin-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085336
N-[(5Z,6E)-6-(aminomethylidene)-3-[6-(fluoromethyl)-1,2,3,4-tetrahydropyridin-3-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085337
N-[(5Z,6E)-3-[(2Z,4E)-2-amino-1-fluorohepta-2,4-dien-4-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085351
N-[(5Z,6E)-3-[(Z)-6-amino-7,7-difluorohept-5-en-3-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085353
N-[(5Z,6E)-6-(aminomethylidene)-5-prop-2-enylidene-3-[5-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-3-yl]cyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085364
N-[(5Z,6E)-3-[(E)-6-amino-6-fluoro-5-methylhex-5-en-3-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085395
(E)-N-ethyl-1-[(2S,6S)-6-[(2R)-2-fluoro-1,2-dihydropyridin-5-yl]-3-methylidene-2,6-dihydro-1H-pyridin-2-yl]-N-methylbut-2-en-2-amine
CID 89789243

Frequently Asked Questions

What is the IUPAC name of N-[(5Z)-6-(aminomethyl)-3-methyl-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[(5Z)-6-(aminomethyl)-3-methyl-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-1-methylpiperidin-4-amine (CID 88905238) is N-[(5Z)-6-(aminomethyl)-3-methyl-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[(5Z)-6-(aminomethyl)-3-methyl-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[(5Z)-6-(aminomethyl)-3-methyl-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-1-methylpiperidin-4-amine is C=C/C=C1/C=C(C)C=C(NC2CCN(C)CC2)C1CN.
What is the InChIKey of N-[(5Z)-6-(aminomethyl)-3-methyl-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-1-methylpiperidin-4-amine?
The InChIKey is AJBPNKJRECWQOC-RZNTYIFUSA-N. The full InChI is InChI=1S/C17H27N3/c1-4-5-14-10-13(2)11-17(16(14)12-18)19-15-6-8-20(3)9-7-15/h4-5,10-11,15-16,19H,1,6-9,12,18H2,2-3H3/b14-5-.
What are the key properties of N-[(5Z)-6-(aminomethyl)-3-methyl-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-1-methylpiperidin-4-amine?
N-[(5Z)-6-(aminomethyl)-3-methyl-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-1-methylpiperidin-4-amine has a molecular weight of 273.42 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z)-6-(aminomethyl)-3-methyl-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 88905238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).