(13Z)-13-ethylidene-12-methylheptadecan-1-amine

C20H41N — CID 146337123

IUPAC(13Z)-13-ethylidene-12-methylheptadecan-1-amine
SMILESC/C=C(/CCCC)C(C)CCCCCCCCCCCN
InChIInChI=1S/C20H41N/c1-4-6-17-20(5-2)19(3)16-14-12-10-8-7-9-11-13-15-18-21/h5,19H,4,6-18,21H2,1-3H3/b20-5-
InChIKeyNOUFCPYXFWVLDS-SDPNRITHSA-N
MW295.56 g/mol
LogP6.62
Rot. Bonds15

About (13Z)-13-ethylidene-12-methylheptadecan-1-amine

(13Z)-13-ethylidene-12-methylheptadecan-1-amine (PubChem CID 146337123) has the molecular formula C20H41N and a molecular weight of 295.56 g/mol. Its IUPAC name is (13Z)-13-ethylidene-12-methylheptadecan-1-amine.

Molecular Properties

Compound Name(13Z)-13-ethylidene-12-methylheptadecan-1-amine
PubChem CID146337123
Molecular FormulaC20H41N
Molecular Weight295.56 g/mol
Exact Mass295.32
IUPAC Name(13Z)-13-ethylidene-12-methylheptadecan-1-amine
SMILESC/C=C(/CCCC)C(C)CCCCCCCCCCCN
InChIInChI=1S/C20H41N/c1-4-6-17-20(5-2)19(3)16-14-12-10-8-7-9-11-13-15-18-21/h5,19H,4,6-18,21H2,1-3H3/b20-5-
InChIKeyNOUFCPYXFWVLDS-SDPNRITHSA-N
XLogP6.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-ethylidene-5-methylnonane
CID 142307818
4-ethylidene-3-methyloctane
CID 90798217
(5R)-1,5-diamino-7-methyltridecan-6-one
CID 129100220
1-aminooctacosan-11-ol
CID 172994921
6-amino-2-methylhexanoic acid;2-methylhexanoic acid
CID 157205316
dodecan-1-amine;bis(propan-2-ol)
CID 19742183
1-aminopentadecan-4-ol
CID 151480186
dodecan-1-amine;dodecan-2-amine
CID 88815564
5,9-dimethyloctadecan-1-amine
CID 174923758
(2S)-6-amino-2-(heptadecanoylamino)hexanoic acid
CID 171116907
6-amino-2-(nonanoylamino)hexanoic acid
CID 22722100
N-(6-aminohexan-2-yl)octanamide
CID 123172105

Frequently Asked Questions

What is the IUPAC name of (13Z)-13-ethylidene-12-methylheptadecan-1-amine?
The IUPAC name of (13Z)-13-ethylidene-12-methylheptadecan-1-amine (CID 146337123) is (13Z)-13-ethylidene-12-methylheptadecan-1-amine.
What is the SMILES notation for (13Z)-13-ethylidene-12-methylheptadecan-1-amine?
The canonical SMILES for (13Z)-13-ethylidene-12-methylheptadecan-1-amine is C/C=C(/CCCC)C(C)CCCCCCCCCCCN.
What is the InChIKey of (13Z)-13-ethylidene-12-methylheptadecan-1-amine?
The InChIKey is NOUFCPYXFWVLDS-SDPNRITHSA-N. The full InChI is InChI=1S/C20H41N/c1-4-6-17-20(5-2)19(3)16-14-12-10-8-7-9-11-13-15-18-21/h5,19H,4,6-18,21H2,1-3H3/b20-5-.
What are the key properties of (13Z)-13-ethylidene-12-methylheptadecan-1-amine?
(13Z)-13-ethylidene-12-methylheptadecan-1-amine has a molecular weight of 295.56 g/mol, XLogP of 6.62, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (13Z)-13-ethylidene-12-methylheptadecan-1-amine is sourced from PubChem (CID 146337123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).