1-[1-(aminomethyl)cyclopropyl]-2-methylbutan-1-ol

C9H19NO — CID 130513360

IUPAC1-[1-(aminomethyl)cyclopropyl]-2-methylbutan-1-ol
SMILESCCC(C)C(O)C1(CN)CC1
InChIInChI=1S/C9H19NO/c1-3-7(2)8(11)9(6-10)4-5-9/h7-8,11H,3-6,10H2,1-2H3
InChIKeyBXBICOCCNDMWHE-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.13
Rot. Bonds4

About 1-[1-(aminomethyl)cyclopropyl]-2-methylbutan-1-ol

1-[1-(aminomethyl)cyclopropyl]-2-methylbutan-1-ol (PubChem CID 130513360) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclopropyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclopropyl]-2-methylbutan-1-ol
PubChem CID130513360
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-[1-(aminomethyl)cyclopropyl]-2-methylbutan-1-ol
SMILESCCC(C)C(O)C1(CN)CC1
InChIInChI=1S/C9H19NO/c1-3-7(2)8(11)9(6-10)4-5-9/h7-8,11H,3-6,10H2,1-2H3
InChIKeyBXBICOCCNDMWHE-UHFFFAOYSA-N
XLogP1.13
TPSA46.25 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 ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclopropyl]-2-methylbutan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)cyclopropyl]-2-methylbutan-1-ol (CID 130513360) is 1-[1-(aminomethyl)cyclopropyl]-2-methylbutan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)cyclopropyl]-2-methylbutan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)cyclopropyl]-2-methylbutan-1-ol is CCC(C)C(O)C1(CN)CC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclopropyl]-2-methylbutan-1-ol?
The InChIKey is BXBICOCCNDMWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-7(2)8(11)9(6-10)4-5-9/h7-8,11H,3-6,10H2,1-2H3.
What are the key properties of 1-[1-(aminomethyl)cyclopropyl]-2-methylbutan-1-ol?
1-[1-(aminomethyl)cyclopropyl]-2-methylbutan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclopropyl]-2-methylbutan-1-ol is sourced from PubChem (CID 130513360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).