4-amino-1-cyclopropyl-5-methylheptan-3-one

C11H21NO — CID 116552846

IUPAC4-amino-1-cyclopropyl-5-methylheptan-3-one
SMILESCCC(C)C(N)C(=O)CCC1CC1
InChIInChI=1S/C11H21NO/c1-3-8(2)11(12)10(13)7-6-9-4-5-9/h8-9,11H,3-7,12H2,1-2H3
InChIKeyHJQVYWAGANQHPQ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.12
Rot. Bonds6

About 4-amino-1-cyclopropyl-5-methylheptan-3-one

4-amino-1-cyclopropyl-5-methylheptan-3-one (PubChem CID 116552846) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-5-methylheptan-3-one.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-5-methylheptan-3-one
PubChem CID116552846
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-amino-1-cyclopropyl-5-methylheptan-3-one
SMILESCCC(C)C(N)C(=O)CCC1CC1
InChIInChI=1S/C11H21NO/c1-3-8(2)11(12)10(13)7-6-9-4-5-9/h8-9,11H,3-7,12H2,1-2H3
InChIKeyHJQVYWAGANQHPQ-UHFFFAOYSA-N
XLogP2.12
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropylethyl 2-amino-3-methylpentanoate
CID 106202709
2-cyclopropylethyl (2S,3S)-2-amino-3-methylpentanoate
CID 106202505
cyclopropylmethyl 2-amino-3-methylpentanoate
CID 61150459
1-cyclopropyl-4-ethoxyhexan-3-one
CID 116707506
4-amino-1-ethylsulfonyl-5-methylheptan-3-one
CID 106736165
4-amino-3-methylheptadecan-5-one
CID 116552832
1-cyclohexyl-4-methylhexan-3-one
CID 115787943
3-(4-aminocyclohexyl)-N-(3-methylpentan-2-yl)propanamide
CID 55117162
1-cyclopropyl-4-propylheptan-3-one
CID 114978233
2-cyclopropylethyl 2-aminobutanoate
CID 106202655
4-methyl-1-(4-propan-2-ylcyclohexyl)pentan-3-one;sulfane
CID 177028159
2-amino-N-(3-cyclohexylpropyl)-3-methylpentanamide
CID 119724279

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-5-methylheptan-3-one?
The IUPAC name of 4-amino-1-cyclopropyl-5-methylheptan-3-one (CID 116552846) is 4-amino-1-cyclopropyl-5-methylheptan-3-one.
What is the SMILES notation for 4-amino-1-cyclopropyl-5-methylheptan-3-one?
The canonical SMILES for 4-amino-1-cyclopropyl-5-methylheptan-3-one is CCC(C)C(N)C(=O)CCC1CC1.
What is the InChIKey of 4-amino-1-cyclopropyl-5-methylheptan-3-one?
The InChIKey is HJQVYWAGANQHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-8(2)11(12)10(13)7-6-9-4-5-9/h8-9,11H,3-7,12H2,1-2H3.
What are the key properties of 4-amino-1-cyclopropyl-5-methylheptan-3-one?
4-amino-1-cyclopropyl-5-methylheptan-3-one has a molecular weight of 183.29 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-5-methylheptan-3-one is sourced from PubChem (CID 116552846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).