N,N-dimethylpropan-1-amine;(Z)-octadec-9-en-1-amine

C23H50N2 — CID 174780488

IUPACN,N-dimethylpropan-1-amine;(Z)-octadec-9-en-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCN.CCCN(C)C
InChIInChI=1S/C18H37N.C5H13N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-4-5-6(2)3/h9-10H,2-8,11-19H2,1H3;4-5H2,1-3H3/b10-9-;
InChIKeyFJQALPGYUBUCBW-KVVVOXFISA-N
MW354.67 g/mol
LogP6.94
Rot. Bonds17

About N,N-dimethylpropan-1-amine;(Z)-octadec-9-en-1-amine

N,N-dimethylpropan-1-amine;(Z)-octadec-9-en-1-amine (PubChem CID 174780488) has the molecular formula C23H50N2 and a molecular weight of 354.67 g/mol. Its IUPAC name is N,N-dimethylpropan-1-amine;(Z)-octadec-9-en-1-amine.

Molecular Properties

Compound NameN,N-dimethylpropan-1-amine;(Z)-octadec-9-en-1-amine
PubChem CID174780488
Molecular FormulaC23H50N2
Molecular Weight354.67 g/mol
Exact Mass354.40
IUPAC NameN,N-dimethylpropan-1-amine;(Z)-octadec-9-en-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCN.CCCN(C)C
InChIInChI=1S/C18H37N.C5H13N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-4-5-6(2)3/h9-10H,2-8,11-19H2,1H3;4-5H2,1-3H3/b10-9-;
InChIKeyFJQALPGYUBUCBW-KVVVOXFISA-N
XLogP6.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.67
LogP ≤ 56.94
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'}

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Related Compounds

(Z)-triacont-9-en-1-amine
CID 139626552
(Z)-hexacos-9-en-1-amine
CID 139899136
(9Z,27Z)-hexatriaconta-9,27-dien-1-amine
CID 150821100
(Z)-tetradec-7-en-1-amine
CID 10680019
hexatriacont-9-en-1-amine
CID 154086335
octadec-9-en-1-amine
CID 8219
henicos-9-en-1-amine
CID 154097370
hexacos-7-en-1-amine
CID 54386716
alumane;(Z)-octadec-9-en-1-amine
CID 175454084
N,N-dioctyloctan-1-amine;(Z)-octadec-9-en-1-amine
CID 175208767
decan-1-amine;N,N-dimethylhex-4-en-1-amine
CID 159532821
(E)-N,N-dimethylhexadec-10-en-1-amine
CID 102116363

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpropan-1-amine;(Z)-octadec-9-en-1-amine?
The IUPAC name of N,N-dimethylpropan-1-amine;(Z)-octadec-9-en-1-amine (CID 174780488) is N,N-dimethylpropan-1-amine;(Z)-octadec-9-en-1-amine.
What is the SMILES notation for N,N-dimethylpropan-1-amine;(Z)-octadec-9-en-1-amine?
The canonical SMILES for N,N-dimethylpropan-1-amine;(Z)-octadec-9-en-1-amine is CCCCCCCC/C=C\CCCCCCCCN.CCCN(C)C.
What is the InChIKey of N,N-dimethylpropan-1-amine;(Z)-octadec-9-en-1-amine?
The InChIKey is FJQALPGYUBUCBW-KVVVOXFISA-N. The full InChI is InChI=1S/C18H37N.C5H13N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-4-5-6(2)3/h9-10H,2-8,11-19H2,1H3;4-5H2,1-3H3/b10-9-;.
What are the key properties of N,N-dimethylpropan-1-amine;(Z)-octadec-9-en-1-amine?
N,N-dimethylpropan-1-amine;(Z)-octadec-9-en-1-amine has a molecular weight of 354.67 g/mol, XLogP of 6.94, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpropan-1-amine;(Z)-octadec-9-en-1-amine is sourced from PubChem (CID 174780488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).