(2S)-1-cyclopropyl-3-nitrosopropan-2-amine

C6H12N2O — CID 163725548

IUPAC(2S)-1-cyclopropyl-3-nitrosopropan-2-amine
SMILESN[C@H](CN=O)CC1CC1
InChIInChI=1S/C6H12N2O/c7-6(4-8-9)3-5-1-2-5/h5-6H,1-4,7H2/t6-/m0/s1
InChIKeyKVGBEHCQLDRNBJ-LURJTMIESA-N
MW128.17 g/mol
LogP0.88
Rot. Bonds4

About (2S)-1-cyclopropyl-3-nitrosopropan-2-amine

(2S)-1-cyclopropyl-3-nitrosopropan-2-amine (PubChem CID 163725548) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is (2S)-1-cyclopropyl-3-nitrosopropan-2-amine.

Molecular Properties

Compound Name(2S)-1-cyclopropyl-3-nitrosopropan-2-amine
PubChem CID163725548
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name(2S)-1-cyclopropyl-3-nitrosopropan-2-amine
SMILESN[C@H](CN=O)CC1CC1
InChIInChI=1S/C6H12N2O/c7-6(4-8-9)3-5-1-2-5/h5-6H,1-4,7H2/t6-/m0/s1
InChIKeyKVGBEHCQLDRNBJ-LURJTMIESA-N
XLogP0.88
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dicyclopentylpropan-2-amine
CID 58122660
1-cyclopropyl-3-(oxolan-2-yl)propan-2-amine
CID 64905481
1-cyclopropyl-5,5,5-trifluoropentan-2-amine
CID 79952888
1-cyclopropyl-4-methylpentan-2-amine
CID 62753020
2-amino-3-cyclopropyl-N-oxopropanamide
CID 143351908
(3R)-3-amino-4-cyclopropylbutanoic acid;hydrochloride
CID 155904084
1-cyclopropylpentan-2-amine
CID 64905685
(2S)-1-cyclopentylbutan-2-amine
CID 58736664
2-amino-3-cyclopropylpropanoic acid
CID 519178
(3S)-3-amino-4-cyclopentylbutanoic acid
CID 55254497
(3S)-3-amino-4-cyclobutylbutanoic acid
CID 66644622
1-cyclopropyl-3-piperidin-1-ylpropan-2-amine
CID 82407506

Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclopropyl-3-nitrosopropan-2-amine?
The IUPAC name of (2S)-1-cyclopropyl-3-nitrosopropan-2-amine (CID 163725548) is (2S)-1-cyclopropyl-3-nitrosopropan-2-amine.
What is the SMILES notation for (2S)-1-cyclopropyl-3-nitrosopropan-2-amine?
The canonical SMILES for (2S)-1-cyclopropyl-3-nitrosopropan-2-amine is N[C@H](CN=O)CC1CC1.
What is the InChIKey of (2S)-1-cyclopropyl-3-nitrosopropan-2-amine?
The InChIKey is KVGBEHCQLDRNBJ-LURJTMIESA-N. The full InChI is InChI=1S/C6H12N2O/c7-6(4-8-9)3-5-1-2-5/h5-6H,1-4,7H2/t6-/m0/s1.
What are the key properties of (2S)-1-cyclopropyl-3-nitrosopropan-2-amine?
(2S)-1-cyclopropyl-3-nitrosopropan-2-amine has a molecular weight of 128.17 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclopropyl-3-nitrosopropan-2-amine is sourced from PubChem (CID 163725548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).