N-ethyl-N,4,4-trimethyltridec-11-en-1-amine

C18H37N — CID 174325557

IUPACN-ethyl-N,4,4-trimethyltridec-11-en-1-amine
SMILESCC=CCCCCCCC(C)(C)CCCN(C)CC
InChIInChI=1S/C18H37N/c1-6-8-9-10-11-12-13-15-18(3,4)16-14-17-19(5)7-2/h6,8H,7,9-17H2,1-5H3
InChIKeyQOYVPPPMIBJEDI-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.66
Rot. Bonds12

About N-ethyl-N,4,4-trimethyltridec-11-en-1-amine

N-ethyl-N,4,4-trimethyltridec-11-en-1-amine (PubChem CID 174325557) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is N-ethyl-N,4,4-trimethyltridec-11-en-1-amine.

Molecular Properties

Compound NameN-ethyl-N,4,4-trimethyltridec-11-en-1-amine
PubChem CID174325557
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC NameN-ethyl-N,4,4-trimethyltridec-11-en-1-amine
SMILESCC=CCCCCCCC(C)(C)CCCN(C)CC
InChIInChI=1S/C18H37N/c1-6-8-9-10-11-12-13-15-18(3,4)16-14-17-19(5)7-2/h6,8H,7,9-17H2,1-5H3
InChIKeyQOYVPPPMIBJEDI-UHFFFAOYSA-N
XLogP5.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.66
H-Bond Donors ≤ 50
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

10,10-dimethylhenicos-2-ene
CID 123622091
8,8-dimethylundec-2-ene
CID 123615624
(E)-N-ethyl-N-methylpent-3-en-1-amine
CID 147558495
2-methyldec-8-en-2-ol
CID 173164582
hentriaconta-2,10,29-triene
CID 150025785
bis(dodeca-2,10-diene);methane
CID 159815244
icosa-2,10,18-triene
CID 74063823
2-ethyl-2-methyldec-8-enal
CID 54065132
(Z)-icos-2-ene
CID 5352524
N,N-diethyl-4,4-dimethyldecan-1-amine
CID 129028023
octadeca-2,10-diene
CID 54270716
(2E,8Z)-pentadeca-2,8-diene
CID 173032001

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,4,4-trimethyltridec-11-en-1-amine?
The IUPAC name of N-ethyl-N,4,4-trimethyltridec-11-en-1-amine (CID 174325557) is N-ethyl-N,4,4-trimethyltridec-11-en-1-amine.
What is the SMILES notation for N-ethyl-N,4,4-trimethyltridec-11-en-1-amine?
The canonical SMILES for N-ethyl-N,4,4-trimethyltridec-11-en-1-amine is CC=CCCCCCCC(C)(C)CCCN(C)CC.
What is the InChIKey of N-ethyl-N,4,4-trimethyltridec-11-en-1-amine?
The InChIKey is QOYVPPPMIBJEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-6-8-9-10-11-12-13-15-18(3,4)16-14-17-19(5)7-2/h6,8H,7,9-17H2,1-5H3.
What are the key properties of N-ethyl-N,4,4-trimethyltridec-11-en-1-amine?
N-ethyl-N,4,4-trimethyltridec-11-en-1-amine has a molecular weight of 267.50 g/mol, XLogP of 5.66, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,4,4-trimethyltridec-11-en-1-amine is sourced from PubChem (CID 174325557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).