(E)-N,N-dipropylundec-8-en-1-amine

C17H35N — CID 22171945

IUPAC(E)-N,N-dipropylundec-8-en-1-amine
SMILESCC/C=C/CCCCCCCN(CCC)CCC
InChIInChI=1S/C17H35N/c1-4-7-8-9-10-11-12-13-14-17-18(15-5-2)16-6-3/h7-8H,4-6,9-17H2,1-3H3/b8-7+
InChIKeyKMHRUSZKYBJQIK-BQYQJAHWSA-N
MW253.47 g/mol
LogP5.42
Rot. Bonds13

About (E)-N,N-dipropylundec-8-en-1-amine

(E)-N,N-dipropylundec-8-en-1-amine (PubChem CID 22171945) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is (E)-N,N-dipropylundec-8-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-dipropylundec-8-en-1-amine
PubChem CID22171945
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name(E)-N,N-dipropylundec-8-en-1-amine
SMILESCC/C=C/CCCCCCCN(CCC)CCC
InChIInChI=1S/C17H35N/c1-4-7-8-9-10-11-12-13-14-17-18(15-5-2)16-6-3/h7-8H,4-6,9-17H2,1-3H3/b8-7+
InChIKeyKMHRUSZKYBJQIK-BQYQJAHWSA-N
XLogP5.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.42
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

(Z)-N,N-bis[(Z)-docos-13-enyl]docos-13-en-1-amine
CID 87119903
(9Z,12Z)-N-[(9Z,12Z)-heptadeca-9,12-dienyl]-N-propyloctadeca-9,12-dien-1-amine
CID 89212218
(3E,16E)-nonadeca-3,16-diene
CID 157471321
(E)-nonacos-3-ene
CID 22172230
(3Z,11Z)-heptadeca-3,11-diene
CID 91750518
octacos-3-ene
CID 54171253
(Z)-tridec-3-ene
CID 5362711
(E)-heptadec-3-ene
CID 5352250
(3E,13E)-nonadeca-3,13-diene
CID 141029609
(E)-octadec-3-ene
CID 5365984
(E)-N,N-diethylheptadec-13-en-1-amine
CID 102116411
(E)-N,N-diethylheptadec-9-en-1-amine
CID 102116407

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dipropylundec-8-en-1-amine?
The IUPAC name of (E)-N,N-dipropylundec-8-en-1-amine (CID 22171945) is (E)-N,N-dipropylundec-8-en-1-amine.
What is the SMILES notation for (E)-N,N-dipropylundec-8-en-1-amine?
The canonical SMILES for (E)-N,N-dipropylundec-8-en-1-amine is CC/C=C/CCCCCCCN(CCC)CCC.
What is the InChIKey of (E)-N,N-dipropylundec-8-en-1-amine?
The InChIKey is KMHRUSZKYBJQIK-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H35N/c1-4-7-8-9-10-11-12-13-14-17-18(15-5-2)16-6-3/h7-8H,4-6,9-17H2,1-3H3/b8-7+.
What are the key properties of (E)-N,N-dipropylundec-8-en-1-amine?
(E)-N,N-dipropylundec-8-en-1-amine has a molecular weight of 253.47 g/mol, XLogP of 5.42, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dipropylundec-8-en-1-amine is sourced from PubChem (CID 22171945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).