[(3S)-2-(aminomethyl)-3-methylcyclopropyl]methanol

C6H13NO — CID 143572828

IUPAC[(3S)-2-(aminomethyl)-3-methylcyclopropyl]methanol
SMILESC[C@H]1C(CN)C1CO
InChIInChI=1S/C6H13NO/c1-4-5(2-7)6(4)3-8/h4-6,8H,2-3,7H2,1H3/t4-,5?,6?/m0/s1
InChIKeyPOROBSCZGLDCAG-KXGSVCODSA-N
MW115.18 g/mol
LogP-0.18
Rot. Bonds2

About [(3S)-2-(aminomethyl)-3-methylcyclopropyl]methanol

[(3S)-2-(aminomethyl)-3-methylcyclopropyl]methanol (PubChem CID 143572828) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is [(3S)-2-(aminomethyl)-3-methylcyclopropyl]methanol.

Molecular Properties

Compound Name[(3S)-2-(aminomethyl)-3-methylcyclopropyl]methanol
PubChem CID143572828
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name[(3S)-2-(aminomethyl)-3-methylcyclopropyl]methanol
SMILESC[C@H]1C(CN)C1CO
InChIInChI=1S/C6H13NO/c1-4-5(2-7)6(4)3-8/h4-6,8H,2-3,7H2,1H3/t4-,5?,6?/m0/s1
InChIKeyPOROBSCZGLDCAG-KXGSVCODSA-N
XLogP-0.18
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S)-2-(aminomethyl)-3-methylcyclopropyl]methanol?
The IUPAC name of [(3S)-2-(aminomethyl)-3-methylcyclopropyl]methanol (CID 143572828) is [(3S)-2-(aminomethyl)-3-methylcyclopropyl]methanol.
What is the SMILES notation for [(3S)-2-(aminomethyl)-3-methylcyclopropyl]methanol?
The canonical SMILES for [(3S)-2-(aminomethyl)-3-methylcyclopropyl]methanol is C[C@H]1C(CN)C1CO.
What is the InChIKey of [(3S)-2-(aminomethyl)-3-methylcyclopropyl]methanol?
The InChIKey is POROBSCZGLDCAG-KXGSVCODSA-N. The full InChI is InChI=1S/C6H13NO/c1-4-5(2-7)6(4)3-8/h4-6,8H,2-3,7H2,1H3/t4-,5?,6?/m0/s1.
What are the key properties of [(3S)-2-(aminomethyl)-3-methylcyclopropyl]methanol?
[(3S)-2-(aminomethyl)-3-methylcyclopropyl]methanol has a molecular weight of 115.18 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-(aminomethyl)-3-methylcyclopropyl]methanol is sourced from PubChem (CID 143572828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).