1-amino-1-cyclopropyl-5-methylhexan-3-one

C10H19NO — CID 116608690

IUPAC1-amino-1-cyclopropyl-5-methylhexan-3-one
SMILESCC(C)CC(=O)CC(N)C1CC1
InChIInChI=1S/C10H19NO/c1-7(2)5-9(12)6-10(11)8-3-4-8/h7-8,10H,3-6,11H2,1-2H3
InChIKeyYHFWJPCLPVNINM-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.73
Rot. Bonds5

About 1-amino-1-cyclopropyl-5-methylhexan-3-one

1-amino-1-cyclopropyl-5-methylhexan-3-one (PubChem CID 116608690) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-amino-1-cyclopropyl-5-methylhexan-3-one.

Molecular Properties

Compound Name1-amino-1-cyclopropyl-5-methylhexan-3-one
PubChem CID116608690
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-amino-1-cyclopropyl-5-methylhexan-3-one
SMILESCC(C)CC(=O)CC(N)C1CC1
InChIInChI=1S/C10H19NO/c1-7(2)5-9(12)6-10(11)8-3-4-8/h7-8,10H,3-6,11H2,1-2H3
InChIKeyYHFWJPCLPVNINM-UHFFFAOYSA-N
XLogP1.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-1-cyclopropyloct-6-yn-3-one
CID 116608937
3-amino-3-cyclopropylpropanoic acid;hydrochloride
CID 155887796
3-amino-1,3-dicyclopropylpropan-1-one
CID 116608894
methyl 3-amino-3-cyclopropylpropanoate;hydrochloride
CID 71755746
chloromethane;2,6-dimethylheptan-4-one
CID 174654113
3-amino-3-cyclopropyl-N',N'-dimethylpropanehydrazide
CID 83020966
acetic acid;2,6-dimethylheptan-4-one
CID 135383464
2-methylpentyl 3-amino-3-cyclopropylpropanoate
CID 103284230
(3R)-3-amino-3-(4-tert-butylcyclohexyl)propanoic acid
CID 104941123
3-amino-3-cyclopropyl-N-(2,3,3-trimethylbutyl)propanamide
CID 83141491
4-amino-4-cyclopropyl-1-pyridin-4-ylbutan-2-one
CID 116608929
3-amino-3-cyclopropyl-1-(4-ethylcyclohexyl)propan-1-one
CID 116608822

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-cyclopropyl-5-methylhexan-3-one?
The IUPAC name of 1-amino-1-cyclopropyl-5-methylhexan-3-one (CID 116608690) is 1-amino-1-cyclopropyl-5-methylhexan-3-one.
What is the SMILES notation for 1-amino-1-cyclopropyl-5-methylhexan-3-one?
The canonical SMILES for 1-amino-1-cyclopropyl-5-methylhexan-3-one is CC(C)CC(=O)CC(N)C1CC1.
What is the InChIKey of 1-amino-1-cyclopropyl-5-methylhexan-3-one?
The InChIKey is YHFWJPCLPVNINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-7(2)5-9(12)6-10(11)8-3-4-8/h7-8,10H,3-6,11H2,1-2H3.
What are the key properties of 1-amino-1-cyclopropyl-5-methylhexan-3-one?
1-amino-1-cyclopropyl-5-methylhexan-3-one has a molecular weight of 169.27 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-cyclopropyl-5-methylhexan-3-one is sourced from PubChem (CID 116608690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).