3-(hept-6-en-3-ylamino)butanamide

C11H22N2O — CID 115867780

IUPAC3-(hept-6-en-3-ylamino)butanamide
SMILESC=CCCC(CC)NC(C)CC(N)=O
InChIInChI=1S/C11H22N2O/c1-4-6-7-10(5-2)13-9(3)8-11(12)14/h4,9-10,13H,1,5-8H2,2-3H3,(H2,12,14)
InChIKeyUGORZGOTHHLDJF-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.58
Rot. Bonds8

About 3-(hept-6-en-3-ylamino)butanamide

3-(hept-6-en-3-ylamino)butanamide (PubChem CID 115867780) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-(hept-6-en-3-ylamino)butanamide.

Molecular Properties

Compound Name3-(hept-6-en-3-ylamino)butanamide
PubChem CID115867780
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-(hept-6-en-3-ylamino)butanamide
SMILESC=CCCC(CC)NC(C)CC(N)=O
InChIInChI=1S/C11H22N2O/c1-4-6-7-10(5-2)13-9(3)8-11(12)14/h4,9-10,13H,1,5-8H2,2-3H3,(H2,12,14)
InChIKeyUGORZGOTHHLDJF-UHFFFAOYSA-N
XLogP1.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(1-ethylsulfonylpropan-2-yl)hept-6-en-3-amine
CID 115889877
3-(1-cyclopropylpent-4-enylamino)butanamide
CID 115867757
3-(hex-5-en-2-ylamino)pentan-1-ol
CID 104582668
2-(hex-5-en-2-ylamino)propanamide
CID 104581628
methyl N-hept-6-en-3-ylcarbamate
CID 176564834
methyl 2-(hex-5-en-2-ylamino)-3-methylpentanoate
CID 104655556
(3R,6S)-3,6-dimethyl-4-oxodec-9-enamide
CID 161131004
3-(2-but-3-enoxyethylamino)butanamide
CID 115896708
N-[2-(hept-6-en-3-ylamino)ethyl]-2-methylpropanamide
CID 115706536
N-pent-4-en-2-ylhexan-3-amine
CID 103921873
methyl 3-(hexan-3-ylamino)butanoate
CID 62117257
(2S)-2-(hept-6-en-3-ylamino)-3-phenylpropanoic acid
CID 122037658

Frequently Asked Questions

What is the IUPAC name of 3-(hept-6-en-3-ylamino)butanamide?
The IUPAC name of 3-(hept-6-en-3-ylamino)butanamide (CID 115867780) is 3-(hept-6-en-3-ylamino)butanamide.
What is the SMILES notation for 3-(hept-6-en-3-ylamino)butanamide?
The canonical SMILES for 3-(hept-6-en-3-ylamino)butanamide is C=CCCC(CC)NC(C)CC(N)=O.
What is the InChIKey of 3-(hept-6-en-3-ylamino)butanamide?
The InChIKey is UGORZGOTHHLDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-6-7-10(5-2)13-9(3)8-11(12)14/h4,9-10,13H,1,5-8H2,2-3H3,(H2,12,14).
What are the key properties of 3-(hept-6-en-3-ylamino)butanamide?
3-(hept-6-en-3-ylamino)butanamide has a molecular weight of 198.31 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hept-6-en-3-ylamino)butanamide is sourced from PubChem (CID 115867780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).