(3S)-N,N-dimethyl-3-propyloct-7-enamide

C13H25NO — CID 134962587

IUPAC(3S)-N,N-dimethyl-3-propyloct-7-enamide
SMILESC=CCCCC(CCC)CC(=O)N(C)C
InChIInChI=1S/C13H25NO/c1-5-7-8-10-12(9-6-2)11-13(15)14(3)4/h5,12H,1,6-11H2,2-4H3
InChIKeyOGMBMTCSZHTSMU-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.24
Rot. Bonds8

About (3S)-N,N-dimethyl-3-propyloct-7-enamide

(3S)-N,N-dimethyl-3-propyloct-7-enamide (PubChem CID 134962587) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-3-propyloct-7-enamide.

Molecular Properties

Compound Name(3S)-N,N-dimethyl-3-propyloct-7-enamide
PubChem CID134962587
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(3S)-N,N-dimethyl-3-propyloct-7-enamide
SMILESC=CCCCC(CCC)CC(=O)N(C)C
InChIInChI=1S/C13H25NO/c1-5-7-8-10-12(9-6-2)11-13(15)14(3)4/h5,12H,1,6-11H2,2-4H3
InChIKeyOGMBMTCSZHTSMU-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.24
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

N,N-dimethyl-3-nonyldocos-13-enamide
CID 123595893
N-dec-9-enyl-N-decyl-3-hexyltetradecanamide
CID 20565310
6-propyldec-1-ene
CID 22251175
2-propylhept-6-en-1-amine
CID 87481724
9-propyldodec-1-ene
CID 174048054
7-propylundec-1-ene
CID 174048285
(2S)-N,N,2-trimethylhept-6-enamide
CID 89146514
methyl 19-[2-(dimethylamino)-2-oxoethyl]octacos-9-enoate
CID 123347647
(3R)-N,N,3-trimethylhexanamide
CID 170848594
2-propylhept-6-enoyl 2-propylhept-6-enoate
CID 139914283
N,N-dimethylpent-4-enamide
CID 13308678
(2R)-2-amino-N-methyl-N-pent-4-enylpentanamide
CID 103797423

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-3-propyloct-7-enamide?
The IUPAC name of (3S)-N,N-dimethyl-3-propyloct-7-enamide (CID 134962587) is (3S)-N,N-dimethyl-3-propyloct-7-enamide.
What is the SMILES notation for (3S)-N,N-dimethyl-3-propyloct-7-enamide?
The canonical SMILES for (3S)-N,N-dimethyl-3-propyloct-7-enamide is C=CCCCC(CCC)CC(=O)N(C)C.
What is the InChIKey of (3S)-N,N-dimethyl-3-propyloct-7-enamide?
The InChIKey is OGMBMTCSZHTSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-7-8-10-12(9-6-2)11-13(15)14(3)4/h5,12H,1,6-11H2,2-4H3.
What are the key properties of (3S)-N,N-dimethyl-3-propyloct-7-enamide?
(3S)-N,N-dimethyl-3-propyloct-7-enamide has a molecular weight of 211.35 g/mol, XLogP of 3.24, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethyl-3-propyloct-7-enamide is sourced from PubChem (CID 134962587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).