(Z)-6-[2-[(E)-3-methylhept-1-enyl]-6-methylidenepiperidin-1-yl]hex-4-en-1-amine

C20H36N2 — CID 142974153

IUPAC(Z)-6-[2-[(E)-3-methylhept-1-enyl]-6-methylidenepiperidin-1-yl]hex-4-en-1-amine
SMILESC=C1CCCC(/C=C/C(C)CCCC)N1C/C=C\CCCN
InChIInChI=1S/C20H36N2/c1-4-5-11-18(2)14-15-20-13-10-12-19(3)22(20)17-9-7-6-8-16-21/h7,9,14-15,18,20H,3-6,8,10-13,16-17,21H2,1-2H3/b9-7-,15-14+
InChIKeyMRKPTRXTQJXQSJ-DKWVFZHTSA-N
MW304.52 g/mol
LogP5.03
Rot. Bonds10

About (Z)-6-[2-[(E)-3-methylhept-1-enyl]-6-methylidenepiperidin-1-yl]hex-4-en-1-amine

(Z)-6-[2-[(E)-3-methylhept-1-enyl]-6-methylidenepiperidin-1-yl]hex-4-en-1-amine (PubChem CID 142974153) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is (Z)-6-[2-[(E)-3-methylhept-1-enyl]-6-methylidenepiperidin-1-yl]hex-4-en-1-amine.

Molecular Properties

Compound Name(Z)-6-[2-[(E)-3-methylhept-1-enyl]-6-methylidenepiperidin-1-yl]hex-4-en-1-amine
PubChem CID142974153
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC Name(Z)-6-[2-[(E)-3-methylhept-1-enyl]-6-methylidenepiperidin-1-yl]hex-4-en-1-amine
SMILESC=C1CCCC(/C=C/C(C)CCCC)N1C/C=C\CCCN
InChIInChI=1S/C20H36N2/c1-4-5-11-18(2)14-15-20-13-10-12-19(3)22(20)17-9-7-6-8-16-21/h7,9,14-15,18,20H,3-6,8,10-13,16-17,21H2,1-2H3/b9-7-,15-14+
InChIKeyMRKPTRXTQJXQSJ-DKWVFZHTSA-N
XLogP5.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-6-[2-[(E)-3-methylhept-1-enyl]-6-methylidenepiperidin-1-yl]hex-4-en-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(3S,4R)-3-fluoro-1-methyl-N-[(3Z)-7-methylocta-1,3-dien-2-yl]piperidin-4-amine
CID 167291286
1-Piperidinepropanamine, N-[(3S)-3,7-dimethyl-6-octenyl]-2-methyl-
CID 6480552
1-(Cyclohexen-1-yl)-3-methylpiperidin-4-amine
CID 20395866
2-(1,4-Diethyl-2-hex-1-enyl-3-hexylidenepiperazin-2-yl)ethanamine
CID 67929768
2-[5-ethenyl-1,2-dimethyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-3-yl]-N-(piperidin-4-ylmethyl)ethanamine
CID 68039681
4-Ethyl-2-piperidin-1-yloct-2-en-1-amine
CID 70552418
4-[(5R)-3,5-dimethylpiperidin-1-yl]cyclohex-2-en-1-amine
CID 70974415
(6Z,9Z,28Z,31Z)-N-methyl-N-(4-piperidin-4-ylbutyl)heptatriaconta-6,9,28,31-tetraen-19-amine
CID 71554278
N-methyl-N-(4-piperidin-4-ylbutyl)heptatriaconta-6,9,28,31-tetraen-19-amine
CID 78109870
2-[3-Ethyl-4-(3-ethylhex-1-enyl)-2-hexylidenepiperazin-1-yl]ethanamine
CID 88516850
2-N-[(E)-6-aminohex-3-en-3-yl]-2-N-(1-cyclohexa-2,4-dien-1-ylethenyl)-5-methylcyclohex-3-ene-1,2-diamine
CID 89037631
(6Z)-6-ethylidene-N,2,2-trimethylpiperidin-4-amine
CID 89048340

Frequently Asked Questions

What is the IUPAC name of (Z)-6-[2-[(E)-3-methylhept-1-enyl]-6-methylidenepiperidin-1-yl]hex-4-en-1-amine?
The IUPAC name of (Z)-6-[2-[(E)-3-methylhept-1-enyl]-6-methylidenepiperidin-1-yl]hex-4-en-1-amine (CID 142974153) is (Z)-6-[2-[(E)-3-methylhept-1-enyl]-6-methylidenepiperidin-1-yl]hex-4-en-1-amine.
What is the SMILES notation for (Z)-6-[2-[(E)-3-methylhept-1-enyl]-6-methylidenepiperidin-1-yl]hex-4-en-1-amine?
The canonical SMILES for (Z)-6-[2-[(E)-3-methylhept-1-enyl]-6-methylidenepiperidin-1-yl]hex-4-en-1-amine is C=C1CCCC(/C=C/C(C)CCCC)N1C/C=C\CCCN.
What is the InChIKey of (Z)-6-[2-[(E)-3-methylhept-1-enyl]-6-methylidenepiperidin-1-yl]hex-4-en-1-amine?
The InChIKey is MRKPTRXTQJXQSJ-DKWVFZHTSA-N. The full InChI is InChI=1S/C20H36N2/c1-4-5-11-18(2)14-15-20-13-10-12-19(3)22(20)17-9-7-6-8-16-21/h7,9,14-15,18,20H,3-6,8,10-13,16-17,21H2,1-2H3/b9-7-,15-14+.
What are the key properties of (Z)-6-[2-[(E)-3-methylhept-1-enyl]-6-methylidenepiperidin-1-yl]hex-4-en-1-amine?
(Z)-6-[2-[(E)-3-methylhept-1-enyl]-6-methylidenepiperidin-1-yl]hex-4-en-1-amine has a molecular weight of 304.52 g/mol, XLogP of 5.03, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-[2-[(E)-3-methylhept-1-enyl]-6-methylidenepiperidin-1-yl]hex-4-en-1-amine is sourced from PubChem (CID 142974153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).