[(1R,2S)-2-methyl-2-[(propan-2-ylamino)methyl]cyclopropyl]methanol

C9H19NO — CID 90322668

IUPAC[(1R,2S)-2-methyl-2-[(propan-2-ylamino)methyl]cyclopropyl]methanol
SMILESCC(C)NC[C@@]1(C)C[C@H]1CO
InChIInChI=1S/C9H19NO/c1-7(2)10-6-9(3)4-8(9)5-11/h7-8,10-11H,4-6H2,1-3H3/t8-,9+/m0/s1
InChIKeyTVWXTFRCIOHVTR-DTWKUNHWSA-N
MW157.26 g/mol
LogP1.00
Rot. Bonds4

About [(1R,2S)-2-methyl-2-[(propan-2-ylamino)methyl]cyclopropyl]methanol

[(1R,2S)-2-methyl-2-[(propan-2-ylamino)methyl]cyclopropyl]methanol (PubChem CID 90322668) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is [(1R,2S)-2-methyl-2-[(propan-2-ylamino)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2S)-2-methyl-2-[(propan-2-ylamino)methyl]cyclopropyl]methanol
PubChem CID90322668
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name[(1R,2S)-2-methyl-2-[(propan-2-ylamino)methyl]cyclopropyl]methanol
SMILESCC(C)NC[C@@]1(C)C[C@H]1CO
InChIInChI=1S/C9H19NO/c1-7(2)10-6-9(3)4-8(9)5-11/h7-8,10-11H,4-6H2,1-3H3/t8-,9+/m0/s1
InChIKeyTVWXTFRCIOHVTR-DTWKUNHWSA-N
XLogP1.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1R,2S)-2-methyl-2-[(propan-2-ylamino)methyl]cyclopropyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-ethyl-2-methylcyclopropyl)methyl]propan-2-amine
CID 62704797
tert-butyl N-[(1S,2S)-2-(hydroxymethyl)-1-[(propan-2-ylamino)methyl]cyclopropyl]carbamate
CID 90323073
tert-butyl N-[(1R,2R)-2-(hydroxymethyl)-1-[(propan-2-ylamino)methyl]cyclopropyl]carbamate
CID 90323155
[1-[[(1S,2S)-2-ethyl-1-methylcyclopropyl]methylamino]cyclobutyl]methanol
CID 68765084
N-[2-(1,2-dimethylcyclopropyl)ethyl]propan-2-amine
CID 123728566
N-[(1-ethylcyclopropyl)methyl]propan-2-amine
CID 66026004
3-methyl-1-[(propan-2-ylamino)methyl]cyclopentan-1-ol
CID 64515514
2-[(propan-2-ylamino)methyl]adamantan-2-ol
CID 62774121
N-[[1-(2-methylbutyl)cyclobutyl]methyl]propan-2-amine
CID 65194330
[(1R,2R)-2-methyl-2-(2-phenylethyl)cyclopropyl]methanol
CID 10535692
(2,2-dimethyl-3-propan-2-ylcyclobutyl)methanol
CID 175095277
[(2R)-2-tert-butyl-2-methylcyclopropyl]methanol
CID 89425175

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-methyl-2-[(propan-2-ylamino)methyl]cyclopropyl]methanol?
The IUPAC name of [(1R,2S)-2-methyl-2-[(propan-2-ylamino)methyl]cyclopropyl]methanol (CID 90322668) is [(1R,2S)-2-methyl-2-[(propan-2-ylamino)methyl]cyclopropyl]methanol.
What is the SMILES notation for [(1R,2S)-2-methyl-2-[(propan-2-ylamino)methyl]cyclopropyl]methanol?
The canonical SMILES for [(1R,2S)-2-methyl-2-[(propan-2-ylamino)methyl]cyclopropyl]methanol is CC(C)NC[C@@]1(C)C[C@H]1CO.
What is the InChIKey of [(1R,2S)-2-methyl-2-[(propan-2-ylamino)methyl]cyclopropyl]methanol?
The InChIKey is TVWXTFRCIOHVTR-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)10-6-9(3)4-8(9)5-11/h7-8,10-11H,4-6H2,1-3H3/t8-,9+/m0/s1.
What are the key properties of [(1R,2S)-2-methyl-2-[(propan-2-ylamino)methyl]cyclopropyl]methanol?
[(1R,2S)-2-methyl-2-[(propan-2-ylamino)methyl]cyclopropyl]methanol has a molecular weight of 157.26 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-methyl-2-[(propan-2-ylamino)methyl]cyclopropyl]methanol is sourced from PubChem (CID 90322668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).