[1-(aminomethyl)-2-pentan-3-ylcyclopropyl]methanol

C10H21NO — CID 63043808

IUPAC[1-(aminomethyl)-2-pentan-3-ylcyclopropyl]methanol
SMILESCCC(CC)C1CC1(CN)CO
InChIInChI=1S/C10H21NO/c1-3-8(4-2)9-5-10(9,6-11)7-12/h8-9,12H,3-7,11H2,1-2H3
InChIKeyMWSYFRMYQPRKMA-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.38
Rot. Bonds5

About [1-(aminomethyl)-2-pentan-3-ylcyclopropyl]methanol

[1-(aminomethyl)-2-pentan-3-ylcyclopropyl]methanol (PubChem CID 63043808) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is [1-(aminomethyl)-2-pentan-3-ylcyclopropyl]methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-2-pentan-3-ylcyclopropyl]methanol
PubChem CID63043808
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name[1-(aminomethyl)-2-pentan-3-ylcyclopropyl]methanol
SMILESCCC(CC)C1CC1(CN)CO
InChIInChI=1S/C10H21NO/c1-3-8(4-2)9-5-10(9,6-11)7-12/h8-9,12H,3-7,11H2,1-2H3
InChIKeyMWSYFRMYQPRKMA-UHFFFAOYSA-N
XLogP1.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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 [1-(aminomethyl)-2-pentan-3-ylcyclopropyl]methanol?
The IUPAC name of [1-(aminomethyl)-2-pentan-3-ylcyclopropyl]methanol (CID 63043808) is [1-(aminomethyl)-2-pentan-3-ylcyclopropyl]methanol.
What is the SMILES notation for [1-(aminomethyl)-2-pentan-3-ylcyclopropyl]methanol?
The canonical SMILES for [1-(aminomethyl)-2-pentan-3-ylcyclopropyl]methanol is CCC(CC)C1CC1(CN)CO.
What is the InChIKey of [1-(aminomethyl)-2-pentan-3-ylcyclopropyl]methanol?
The InChIKey is MWSYFRMYQPRKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-8(4-2)9-5-10(9,6-11)7-12/h8-9,12H,3-7,11H2,1-2H3.
What are the key properties of [1-(aminomethyl)-2-pentan-3-ylcyclopropyl]methanol?
[1-(aminomethyl)-2-pentan-3-ylcyclopropyl]methanol has a molecular weight of 171.28 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-2-pentan-3-ylcyclopropyl]methanol is sourced from PubChem (CID 63043808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).