2-(aminomethyl)-2-methyl-1-(2-methylcyclopropyl)butan-1-ol

C10H21NO — CID 165445126

IUPAC2-(aminomethyl)-2-methyl-1-(2-methylcyclopropyl)butan-1-ol
SMILESCCC(C)(CN)C(O)C1CC1C
InChIInChI=1S/C10H21NO/c1-4-10(3,6-11)9(12)8-5-7(8)2/h7-9,12H,4-6,11H2,1-3H3
InChIKeyCMHSABTWCHFXRQ-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.38
Rot. Bonds4

About 2-(aminomethyl)-2-methyl-1-(2-methylcyclopropyl)butan-1-ol

2-(aminomethyl)-2-methyl-1-(2-methylcyclopropyl)butan-1-ol (PubChem CID 165445126) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-(aminomethyl)-2-methyl-1-(2-methylcyclopropyl)butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-methyl-1-(2-methylcyclopropyl)butan-1-ol
PubChem CID165445126
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-(aminomethyl)-2-methyl-1-(2-methylcyclopropyl)butan-1-ol
SMILESCCC(C)(CN)C(O)C1CC1C
InChIInChI=1S/C10H21NO/c1-4-10(3,6-11)9(12)8-5-7(8)2/h7-9,12H,4-6,11H2,1-3H3
InChIKeyCMHSABTWCHFXRQ-UHFFFAOYSA-N
XLogP1.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-methyl-1-(2-methylcyclopropyl)butan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-methyl-1-(2-methylcyclopropyl)butan-1-ol (CID 165445126) is 2-(aminomethyl)-2-methyl-1-(2-methylcyclopropyl)butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-methyl-1-(2-methylcyclopropyl)butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-methyl-1-(2-methylcyclopropyl)butan-1-ol is CCC(C)(CN)C(O)C1CC1C.
What is the InChIKey of 2-(aminomethyl)-2-methyl-1-(2-methylcyclopropyl)butan-1-ol?
The InChIKey is CMHSABTWCHFXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-10(3,6-11)9(12)8-5-7(8)2/h7-9,12H,4-6,11H2,1-3H3.
What are the key properties of 2-(aminomethyl)-2-methyl-1-(2-methylcyclopropyl)butan-1-ol?
2-(aminomethyl)-2-methyl-1-(2-methylcyclopropyl)butan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-methyl-1-(2-methylcyclopropyl)butan-1-ol is sourced from PubChem (CID 165445126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).