ethane;(5Z,7Z)-2-methyl-5-(1-piperidin-1-ylethenyl)nona-5,7-dien-4-amine

C19H36N2 — CID 143207301

IUPACethane;(5Z,7Z)-2-methyl-5-(1-piperidin-1-ylethenyl)nona-5,7-dien-4-amine
SMILESC=C(/C(=C\C=C/C)C(N)CC(C)C)N1CCCCC1.CC
InChIInChI=1S/C17H30N2.C2H6/c1-5-6-10-16(17(18)13-14(2)3)15(4)19-11-8-7-9-12-19;1-2/h5-6,10,14,17H,4,7-9,11-13,18H2,1-3H3;1-2H3/b6-5-,16-10+;
InChIKeyLYIRQNCOBDXDIJ-LVMQOWHJSA-N
MW292.51 g/mol
LogP4.89
Rot. Bonds6

About ethane;(5Z,7Z)-2-methyl-5-(1-piperidin-1-ylethenyl)nona-5,7-dien-4-amine

ethane;(5Z,7Z)-2-methyl-5-(1-piperidin-1-ylethenyl)nona-5,7-dien-4-amine (PubChem CID 143207301) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is ethane;(5Z,7Z)-2-methyl-5-(1-piperidin-1-ylethenyl)nona-5,7-dien-4-amine.

Molecular Properties

Compound Nameethane;(5Z,7Z)-2-methyl-5-(1-piperidin-1-ylethenyl)nona-5,7-dien-4-amine
PubChem CID143207301
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Nameethane;(5Z,7Z)-2-methyl-5-(1-piperidin-1-ylethenyl)nona-5,7-dien-4-amine
SMILESC=C(/C(=C\C=C/C)C(N)CC(C)C)N1CCCCC1.CC
InChIInChI=1S/C17H30N2.C2H6/c1-5-6-10-16(17(18)13-14(2)3)15(4)19-11-8-7-9-12-19;1-2/h5-6,10,14,17H,4,7-9,11-13,18H2,1-3H3;1-2H3/b6-5-,16-10+;
InChIKeyLYIRQNCOBDXDIJ-LVMQOWHJSA-N
XLogP4.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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
N-[(5Z,6E)-3-[(Z)-2-amino-1,1-difluorohept-2-en-4-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085563
1-[(2Z,3Z,6E,7Z)-4-cyclopropyl-6-(fluoromethylidene)-5-methyl-2-pentan-2-ylidenenona-3,7-dienyl]-N-methylpiperidin-4-amine
CID 134593997
1-[5-[[(5E)-1-[2-[1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]ethyl]-2-methyl-4-methylidene-5-prop-2-enylidenepyrrol-3-yl]methyl]cyclohepta-1,3,6-trien-1-yl]-N-methylmethanamine
CID 144880012
(4E,5Z)-4-ethylidene-3-N-[1-(3-fluoro-3-methylcyclobutyl)ethenyl]-1-N-methyl-1-N-(4-methylpent-1-en-2-yl)octa-5,7-diene-1,3-diamine
CID 165397845
N-[1-[5-[(1E)-2-fluorobuta-1,3-dienyl]-1,2,6-trimethyl-3,4-dihydro-2H-pyridin-3-yl]ethenyl]-2-methylpentan-3-amine
CID 166894940
(3S,4R)-3-fluoro-1-methyl-N-[(3Z)-7-methylocta-1,3-dien-2-yl]piperidin-4-amine
CID 167291286
(Z)-4-N-[(2E)-4-fluoropenta-2,4-dien-2-yl]-5-methyl-1-N-(3-piperidin-1-ylpropyl)hex-1-ene-1,4-diamine
CID 170106627
1-(2-Fluoro-3,6-dimethylcyclohexa-1,5-dien-1-yl)piperidin-4-amine
CID 176553006
N-[(5E,6E)-6-[2-(cyclobutylmethylamino)prop-2-enylidene]-5-[3-(trifluoromethyl)but-3-en-2-ylidene]cyclohexa-1,3-dien-1-yl]-1-methylpiperidin-4-amine
CID 178010751
N-[1-(5-fluoro-4-methylcyclohexa-1,3-dien-1-yl)but-3-en-2-yl]-7-piperidin-1-ylhept-1-en-2-amine
CID 156641308
(1Z,3E)-1-N-[(3E)-4-(4,4-dimethylpiperidin-1-yl)penta-1,3-dien-2-yl]-6,6-difluoro-4-propan-2-ylhepta-1,3-diene-1,5-diamine
CID 168202089

Frequently Asked Questions

What is the IUPAC name of ethane;(5Z,7Z)-2-methyl-5-(1-piperidin-1-ylethenyl)nona-5,7-dien-4-amine?
The IUPAC name of ethane;(5Z,7Z)-2-methyl-5-(1-piperidin-1-ylethenyl)nona-5,7-dien-4-amine (CID 143207301) is ethane;(5Z,7Z)-2-methyl-5-(1-piperidin-1-ylethenyl)nona-5,7-dien-4-amine.
What is the SMILES notation for ethane;(5Z,7Z)-2-methyl-5-(1-piperidin-1-ylethenyl)nona-5,7-dien-4-amine?
The canonical SMILES for ethane;(5Z,7Z)-2-methyl-5-(1-piperidin-1-ylethenyl)nona-5,7-dien-4-amine is C=C(/C(=C\C=C/C)C(N)CC(C)C)N1CCCCC1.CC.
What is the InChIKey of ethane;(5Z,7Z)-2-methyl-5-(1-piperidin-1-ylethenyl)nona-5,7-dien-4-amine?
The InChIKey is LYIRQNCOBDXDIJ-LVMQOWHJSA-N. The full InChI is InChI=1S/C17H30N2.C2H6/c1-5-6-10-16(17(18)13-14(2)3)15(4)19-11-8-7-9-12-19;1-2/h5-6,10,14,17H,4,7-9,11-13,18H2,1-3H3;1-2H3/b6-5-,16-10+;.
What are the key properties of ethane;(5Z,7Z)-2-methyl-5-(1-piperidin-1-ylethenyl)nona-5,7-dien-4-amine?
ethane;(5Z,7Z)-2-methyl-5-(1-piperidin-1-ylethenyl)nona-5,7-dien-4-amine has a molecular weight of 292.51 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z,7Z)-2-methyl-5-(1-piperidin-1-ylethenyl)nona-5,7-dien-4-amine is sourced from PubChem (CID 143207301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).