(2R)-4-amino-2,5-dimethyl-1-[(3-methylcyclopentyl)amino]hexan-3-one

C14H28N2O — CID 152877016

IUPAC(2R)-4-amino-2,5-dimethyl-1-[(3-methylcyclopentyl)amino]hexan-3-one
SMILESCC1CCC(NC[C@@H](C)C(=O)C(N)C(C)C)C1
InChIInChI=1S/C14H28N2O/c1-9(2)13(15)14(17)11(4)8-16-12-6-5-10(3)7-12/h9-13,16H,5-8,15H2,1-4H3/t10?,11-,12?,13?/m1/s1
InChIKeyUAPUTARXEVLSIX-QVBJCFTNSA-N
MW240.39 g/mol
LogP1.95
Rot. Bonds6

About (2R)-4-amino-2,5-dimethyl-1-[(3-methylcyclopentyl)amino]hexan-3-one

(2R)-4-amino-2,5-dimethyl-1-[(3-methylcyclopentyl)amino]hexan-3-one (PubChem CID 152877016) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is (2R)-4-amino-2,5-dimethyl-1-[(3-methylcyclopentyl)amino]hexan-3-one.

Molecular Properties

Compound Name(2R)-4-amino-2,5-dimethyl-1-[(3-methylcyclopentyl)amino]hexan-3-one
PubChem CID152877016
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name(2R)-4-amino-2,5-dimethyl-1-[(3-methylcyclopentyl)amino]hexan-3-one
SMILESCC1CCC(NC[C@@H](C)C(=O)C(N)C(C)C)C1
InChIInChI=1S/C14H28N2O/c1-9(2)13(15)14(17)11(4)8-16-12-6-5-10(3)7-12/h9-13,16H,5-8,15H2,1-4H3/t10?,11-,12?,13?/m1/s1
InChIKeyUAPUTARXEVLSIX-QVBJCFTNSA-N
XLogP1.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3-methylcyclopentyl)propane-1,2-diamine
CID 114547299
N'-(3-methylcyclopentyl)-2-propan-2-ylpropane-1,3-diamine
CID 114547307
trans-(1S,3S)-N-(2,2-difluoroethyl)-3-methylcyclopentan-1-amine
CID 162591470
2-amino-3-methyl-N-(3-methylcycloheptyl)butanamide
CID 59458270
1-N-(3-methylcyclopentyl)hexane-1,2-diamine
CID 114547296
3-amino-N-(3-methylcyclopentyl)butanamide
CID 114546157
2-amino-3-methylbutanoic acid;methylcyclopropane
CID 66778248
(2R)-4-[[(1S,3S)-3-methylcyclopentyl]amino]butan-2-ol
CID 96784285
(2S)-4-[[(1S,3R)-3-methylcyclopentyl]amino]butan-2-ol
CID 124674906
N'-(3-methylcyclopentyl)-1-phenylethane-1,2-diamine
CID 114547176
3-[(3-amino-2-methyl-3-oxopropyl)amino]cyclohexane-1-carboxylic acid
CID 63042445
2-[(3-methylcyclopentyl)amino]-N-pentan-2-ylacetamide
CID 114545702

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2,5-dimethyl-1-[(3-methylcyclopentyl)amino]hexan-3-one?
The IUPAC name of (2R)-4-amino-2,5-dimethyl-1-[(3-methylcyclopentyl)amino]hexan-3-one (CID 152877016) is (2R)-4-amino-2,5-dimethyl-1-[(3-methylcyclopentyl)amino]hexan-3-one.
What is the SMILES notation for (2R)-4-amino-2,5-dimethyl-1-[(3-methylcyclopentyl)amino]hexan-3-one?
The canonical SMILES for (2R)-4-amino-2,5-dimethyl-1-[(3-methylcyclopentyl)amino]hexan-3-one is CC1CCC(NC[C@@H](C)C(=O)C(N)C(C)C)C1.
What is the InChIKey of (2R)-4-amino-2,5-dimethyl-1-[(3-methylcyclopentyl)amino]hexan-3-one?
The InChIKey is UAPUTARXEVLSIX-QVBJCFTNSA-N. The full InChI is InChI=1S/C14H28N2O/c1-9(2)13(15)14(17)11(4)8-16-12-6-5-10(3)7-12/h9-13,16H,5-8,15H2,1-4H3/t10?,11-,12?,13?/m1/s1.
What are the key properties of (2R)-4-amino-2,5-dimethyl-1-[(3-methylcyclopentyl)amino]hexan-3-one?
(2R)-4-amino-2,5-dimethyl-1-[(3-methylcyclopentyl)amino]hexan-3-one has a molecular weight of 240.39 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2,5-dimethyl-1-[(3-methylcyclopentyl)amino]hexan-3-one is sourced from PubChem (CID 152877016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).