3-(hex-1-en-2-ylamino)heptan-4-one

C13H25NO — CID 129043432

IUPAC3-(hex-1-en-2-ylamino)heptan-4-one
SMILESC=C(CCCC)NC(CC)C(=O)CCC
InChIInChI=1S/C13H25NO/c1-5-8-10-11(4)14-12(7-3)13(15)9-6-2/h12,14H,4-10H2,1-3H3
InChIKeyWGRZWVIKSJTQAL-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.43
Rot. Bonds9

About 3-(hex-1-en-2-ylamino)heptan-4-one

3-(hex-1-en-2-ylamino)heptan-4-one (PubChem CID 129043432) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-(hex-1-en-2-ylamino)heptan-4-one.

Molecular Properties

Compound Name3-(hex-1-en-2-ylamino)heptan-4-one
PubChem CID129043432
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-(hex-1-en-2-ylamino)heptan-4-one
SMILESC=C(CCCC)NC(CC)C(=O)CCC
InChIInChI=1S/C13H25NO/c1-5-8-10-11(4)14-12(7-3)13(15)9-6-2/h12,14H,4-10H2,1-3H3
InChIKeyWGRZWVIKSJTQAL-UHFFFAOYSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

molecular hydrogen;N-propan-2-ylhex-1-en-2-amine
CID 170740409
hex-1-en-2-ylcarbamic acid
CID 88505899
N-propan-2-yldec-1-en-2-amine
CID 166755614
3-(chloroamino)tridecan-4-one
CID 87481365
N-[(2S)-1-amino-1-oxobutan-2-yl]pentanamide
CID 88957287
3-(dodecanoylamino)-4-oxoheptanoic acid
CID 157485978
2-(pent-1-en-2-ylamino)propanoic acid
CID 143322782
N-pent-1-en-3-ylnon-1-en-2-amine
CID 145435341
diiminoazanium;3-methylheptan-4-one
CID 175383752
5-ethylundecan-4-one
CID 11687075
(4S)-4-methylnonan-5-one;(4R)-4-methylnonan-5-one
CID 162100012
3-methylideneheptanoic acid
CID 13159262

Frequently Asked Questions

What is the IUPAC name of 3-(hex-1-en-2-ylamino)heptan-4-one?
The IUPAC name of 3-(hex-1-en-2-ylamino)heptan-4-one (CID 129043432) is 3-(hex-1-en-2-ylamino)heptan-4-one.
What is the SMILES notation for 3-(hex-1-en-2-ylamino)heptan-4-one?
The canonical SMILES for 3-(hex-1-en-2-ylamino)heptan-4-one is C=C(CCCC)NC(CC)C(=O)CCC.
What is the InChIKey of 3-(hex-1-en-2-ylamino)heptan-4-one?
The InChIKey is WGRZWVIKSJTQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-8-10-11(4)14-12(7-3)13(15)9-6-2/h12,14H,4-10H2,1-3H3.
What are the key properties of 3-(hex-1-en-2-ylamino)heptan-4-one?
3-(hex-1-en-2-ylamino)heptan-4-one has a molecular weight of 211.35 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hex-1-en-2-ylamino)heptan-4-one is sourced from PubChem (CID 129043432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).