(Z)-18,18-diethylicos-9-en-1-amine

C24H49N — CID 141240247

IUPAC(Z)-18,18-diethylicos-9-en-1-amine
SMILESCCC(CC)(CC)CCCCCCC/C=C\CCCCCCCCN
InChIInChI=1S/C24H49N/c1-4-24(5-2,6-3)22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-25/h7-8H,4-6,9-23,25H2,1-3H3/b8-7-
InChIKeyNUYLLIVIHRDIQV-FPLPWBNLSA-N
MW351.66 g/mol
LogP8.18
Rot. Bonds19

About (Z)-18,18-diethylicos-9-en-1-amine

(Z)-18,18-diethylicos-9-en-1-amine (PubChem CID 141240247) has the molecular formula C24H49N and a molecular weight of 351.66 g/mol. Its IUPAC name is (Z)-18,18-diethylicos-9-en-1-amine.

Molecular Properties

Compound Name(Z)-18,18-diethylicos-9-en-1-amine
PubChem CID141240247
Molecular FormulaC24H49N
Molecular Weight351.66 g/mol
Exact Mass351.39
IUPAC Name(Z)-18,18-diethylicos-9-en-1-amine
SMILESCCC(CC)(CC)CCCCCCC/C=C\CCCCCCCCN
InChIInChI=1S/C24H49N/c1-4-24(5-2,6-3)22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-25/h7-8H,4-6,9-23,25H2,1-3H3/b8-7-
InChIKeyNUYLLIVIHRDIQV-FPLPWBNLSA-N
XLogP8.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.66
LogP ≤ 58.18
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

Oleylamine
CID 5356789
13-Docosen-1-amine, (13Z)-
CID 20841368
9-Octadecenylamine
CID 6258392
Linoleamine
CID 6438044
9-Octadecen-1-amine
CID 8219
(2E,4E,6Z,8E)-7-tert-butyl-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
CID 121373945
(2E,4E,6E,8E,10E)-5,9-dimethyl-11-(2,6,6-trimethylcyclohexen-1-yl)undeca-2,4,6,8,10-pentaen-1-amine
CID 121373950
(2Z,4E,6Z,8E)-3,7-ditert-butyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
CID 121373971
(2E,4Z,6E)-5-tert-butyl-7-(2,6,6-trimethylcyclohexen-1-yl)hepta-2,4,6-trien-1-amine
CID 121373982
Palmitoleylamine
CID 20841374
2-(4,4-Dimethylcyclohex-1-en-1-yl)-2-methylpropan-1-amine hydrochloride
CID 165978136
(4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trien-1-amine
CID 445554

Frequently Asked Questions

What is the IUPAC name of (Z)-18,18-diethylicos-9-en-1-amine?
The IUPAC name of (Z)-18,18-diethylicos-9-en-1-amine (CID 141240247) is (Z)-18,18-diethylicos-9-en-1-amine.
What is the SMILES notation for (Z)-18,18-diethylicos-9-en-1-amine?
The canonical SMILES for (Z)-18,18-diethylicos-9-en-1-amine is CCC(CC)(CC)CCCCCCC/C=C\CCCCCCCCN.
What is the InChIKey of (Z)-18,18-diethylicos-9-en-1-amine?
The InChIKey is NUYLLIVIHRDIQV-FPLPWBNLSA-N. The full InChI is InChI=1S/C24H49N/c1-4-24(5-2,6-3)22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-25/h7-8H,4-6,9-23,25H2,1-3H3/b8-7-.
What are the key properties of (Z)-18,18-diethylicos-9-en-1-amine?
(Z)-18,18-diethylicos-9-en-1-amine has a molecular weight of 351.66 g/mol, XLogP of 8.18, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-18,18-diethylicos-9-en-1-amine is sourced from PubChem (CID 141240247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).