[(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

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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).