2-amino-1-cyclopropylhexan-1-one

C9H17NO — CID 116556854

IUPAC2-amino-1-cyclopropylhexan-1-one
SMILESCCCCC(N)C(=O)C1CC1
InChIInChI=1S/C9H17NO/c1-2-3-4-8(10)9(11)7-5-6-7/h7-8H,2-6,10H2,1H3
InChIKeyHPHXBVYMEQAQOJ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.48
Rot. Bonds5

About 2-amino-1-cyclopropylhexan-1-one

2-amino-1-cyclopropylhexan-1-one (PubChem CID 116556854) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-amino-1-cyclopropylhexan-1-one.

Molecular Properties

Compound Name2-amino-1-cyclopropylhexan-1-one
PubChem CID116556854
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-amino-1-cyclopropylhexan-1-one
SMILESCCCCC(N)C(=O)C1CC1
InChIInChI=1S/C9H17NO/c1-2-3-4-8(10)9(11)7-5-6-7/h7-8H,2-6,10H2,1H3
InChIKeyHPHXBVYMEQAQOJ-UHFFFAOYSA-N
XLogP1.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(3,5-dimethylcyclohexyl)hexan-1-one
CID 116556816
2-amino-1-(oxan-4-yl)pentan-1-one
CID 116554596
2-amino-1-(1-methylpiperidin-4-yl)pentan-1-one
CID 155783343
2-(cyclopropanecarbonyl)hexanethioic S-acid
CID 135222737
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
(2S)-2-amino-N-cycloheptylhexanamide
CID 103830902
(2S)-2-amino-N-cyclopropyl-N-propylhexanamide
CID 103950188
(2S)-2-amino-N,N-bis(cyclopropylmethyl)hexanamide
CID 113304824
1-cyclopropyl-2-ethyloctan-1-one
CID 175800062
(2S)-2-amino-N-cyclopentyl-N-methylhexanamide
CID 103831134
(2S)-2-amino-N-(2-cyclopropylethyl)hexanamide
CID 103831775
lithium 2-aminohexanoate
CID 162134290

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-cyclopropylhexan-1-one?
The IUPAC name of 2-amino-1-cyclopropylhexan-1-one (CID 116556854) is 2-amino-1-cyclopropylhexan-1-one.
What is the SMILES notation for 2-amino-1-cyclopropylhexan-1-one?
The canonical SMILES for 2-amino-1-cyclopropylhexan-1-one is CCCCC(N)C(=O)C1CC1.
What is the InChIKey of 2-amino-1-cyclopropylhexan-1-one?
The InChIKey is HPHXBVYMEQAQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-3-4-8(10)9(11)7-5-6-7/h7-8H,2-6,10H2,1H3.
What are the key properties of 2-amino-1-cyclopropylhexan-1-one?
2-amino-1-cyclopropylhexan-1-one has a molecular weight of 155.24 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-cyclopropylhexan-1-one is sourced from PubChem (CID 116556854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).