(2S)-3-(2,3-dimethylcyclopropyl)-2-methylpropan-1-amine

C9H19N — CID 126556094

IUPAC(2S)-3-(2,3-dimethylcyclopropyl)-2-methylpropan-1-amine
SMILESCC1C(C)C1C[C@H](C)CN
InChIInChI=1S/C9H19N/c1-6(5-10)4-9-7(2)8(9)3/h6-9H,4-5,10H2,1-3H3/t6-,7?,8?,9?/m0/s1
InChIKeyCMMMRXBYXFEARX-JUGFDQIVSA-N
MW141.26 g/mol
LogP1.87
Rot. Bonds3

About (2S)-3-(2,3-dimethylcyclopropyl)-2-methylpropan-1-amine

(2S)-3-(2,3-dimethylcyclopropyl)-2-methylpropan-1-amine (PubChem CID 126556094) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (2S)-3-(2,3-dimethylcyclopropyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name(2S)-3-(2,3-dimethylcyclopropyl)-2-methylpropan-1-amine
PubChem CID126556094
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(2S)-3-(2,3-dimethylcyclopropyl)-2-methylpropan-1-amine
SMILESCC1C(C)C1C[C@H](C)CN
InChIInChI=1S/C9H19N/c1-6(5-10)4-9-7(2)8(9)3/h6-9H,4-5,10H2,1-3H3/t6-,7?,8?,9?/m0/s1
InChIKeyCMMMRXBYXFEARX-JUGFDQIVSA-N
XLogP1.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dimethylpentyl)-2,3-dimethylcyclopropane
CID 123569316
4-(3-amino-2-methylpropyl)cyclohexan-1-ol
CID 174312157
aminomethyl-dihydroxy-methylphosphanium
CID 6395030
ethane;(2S)-2-methylbutan-1-amine
CID 168995641
2-methyl-3-silylpropan-1-amine
CID 174099993
(2R)-3-amino-2-methylpropane-1-thiol
CID 92974818
(2S)-2-methylbutane-1,4-diamine
CID 51382069
2-methyl-3-(2-methylaziridin-1-yl)propan-1-amine
CID 59479573
2-methyl-3-(thiolan-3-yl)propan-1-amine
CID 117104663
3-cyclohexa-2,4-dien-1-yl-2-methylpropan-1-amine
CID 142554560
1-(2-ethyl-3-methylcyclopropyl)-3-methylbutan-2-amine
CID 155273756
(4S)-2-methylpentane-1,4-diamine
CID 170201725

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2,3-dimethylcyclopropyl)-2-methylpropan-1-amine?
The IUPAC name of (2S)-3-(2,3-dimethylcyclopropyl)-2-methylpropan-1-amine (CID 126556094) is (2S)-3-(2,3-dimethylcyclopropyl)-2-methylpropan-1-amine.
What is the SMILES notation for (2S)-3-(2,3-dimethylcyclopropyl)-2-methylpropan-1-amine?
The canonical SMILES for (2S)-3-(2,3-dimethylcyclopropyl)-2-methylpropan-1-amine is CC1C(C)C1C[C@H](C)CN.
What is the InChIKey of (2S)-3-(2,3-dimethylcyclopropyl)-2-methylpropan-1-amine?
The InChIKey is CMMMRXBYXFEARX-JUGFDQIVSA-N. The full InChI is InChI=1S/C9H19N/c1-6(5-10)4-9-7(2)8(9)3/h6-9H,4-5,10H2,1-3H3/t6-,7?,8?,9?/m0/s1.
What are the key properties of (2S)-3-(2,3-dimethylcyclopropyl)-2-methylpropan-1-amine?
(2S)-3-(2,3-dimethylcyclopropyl)-2-methylpropan-1-amine has a molecular weight of 141.26 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2,3-dimethylcyclopropyl)-2-methylpropan-1-amine is sourced from PubChem (CID 126556094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).