3-(hept-6-enylamino)-N-propan-2-ylpropanamide

C13H26N2O — CID 107007090

IUPAC3-(hept-6-enylamino)-N-propan-2-ylpropanamide
SMILESC=CCCCCCNCCC(=O)NC(C)C
InChIInChI=1S/C13H26N2O/c1-4-5-6-7-8-10-14-11-9-13(16)15-12(2)3/h4,12,14H,1,5-11H2,2-3H3,(H,15,16)
InChIKeyYUVDFGSTXPJDCI-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.24
Rot. Bonds10

About 3-(hept-6-enylamino)-N-propan-2-ylpropanamide

3-(hept-6-enylamino)-N-propan-2-ylpropanamide (PubChem CID 107007090) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-(hept-6-enylamino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(hept-6-enylamino)-N-propan-2-ylpropanamide
PubChem CID107007090
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-(hept-6-enylamino)-N-propan-2-ylpropanamide
SMILESC=CCCCCCNCCC(=O)NC(C)C
InChIInChI=1S/C13H26N2O/c1-4-5-6-7-8-10-14-11-9-13(16)15-12(2)3/h4,12,14H,1,5-11H2,2-3H3,(H,15,16)
InChIKeyYUVDFGSTXPJDCI-UHFFFAOYSA-N
XLogP2.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
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

3-(hept-6-enylamino)propanamide
CID 107006585
N,N'-di(propan-2-yl)decanediamide
CID 58997511
N-[3-[2-[3-(undec-10-enoylamino)propylamino]ethylamino]propyl]undec-10-enamide
CID 59864047
3-(hept-6-enylamino)-1-piperidin-1-ylpropan-1-one
CID 107007094
3-(2,2-dimethylpropylamino)-N-propan-2-ylpropanamide
CID 62625182
5-(hept-6-enylamino)-2-methylpentan-1-ol
CID 106160063
N-propan-2-yl-3-(3-propoxypropylamino)propanamide
CID 82942492
3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-propan-2-ylpropanamide
CID 62625373
4-oxo-N-propan-2-ylbutanamide
CID 87543114
N-propylnon-8-en-1-amine
CID 107010151
3-[[2-(butylamino)-2-oxoethyl]amino]-N-propan-2-ylpropanamide
CID 112685288
(2S)-4-methyl-2-(undec-10-enoylamino)pentanoic acid
CID 10542049

Frequently Asked Questions

What is the IUPAC name of 3-(hept-6-enylamino)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(hept-6-enylamino)-N-propan-2-ylpropanamide (CID 107007090) is 3-(hept-6-enylamino)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(hept-6-enylamino)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(hept-6-enylamino)-N-propan-2-ylpropanamide is C=CCCCCCNCCC(=O)NC(C)C.
What is the InChIKey of 3-(hept-6-enylamino)-N-propan-2-ylpropanamide?
The InChIKey is YUVDFGSTXPJDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-5-6-7-8-10-14-11-9-13(16)15-12(2)3/h4,12,14H,1,5-11H2,2-3H3,(H,15,16).
What are the key properties of 3-(hept-6-enylamino)-N-propan-2-ylpropanamide?
3-(hept-6-enylamino)-N-propan-2-ylpropanamide has a molecular weight of 226.36 g/mol, XLogP of 2.24, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hept-6-enylamino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 107007090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).