2-(aminomethyl)-2-propylpentan-1-ol

C9H21NO — CID 23120774

IUPAC2-(aminomethyl)-2-propylpentan-1-ol
SMILESCCCC(CN)(CO)CCC
InChIInChI=1S/C9H21NO/c1-3-5-9(7-10,8-11)6-4-2/h11H,3-8,10H2,1-2H3
InChIKeyXRUXFCDVMBSENZ-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.52
Rot. Bonds6

About 2-(aminomethyl)-2-propylpentan-1-ol

2-(aminomethyl)-2-propylpentan-1-ol (PubChem CID 23120774) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 2-(aminomethyl)-2-propylpentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-propylpentan-1-ol
PubChem CID23120774
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name2-(aminomethyl)-2-propylpentan-1-ol
SMILESCCCC(CN)(CO)CCC
InChIInChI=1S/C9H21NO/c1-3-5-9(7-10,8-11)6-4-2/h11H,3-8,10H2,1-2H3
InChIKeyXRUXFCDVMBSENZ-UHFFFAOYSA-N
XLogP1.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-propylpentan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-propylpentan-1-ol (CID 23120774) is 2-(aminomethyl)-2-propylpentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-propylpentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-propylpentan-1-ol is CCCC(CN)(CO)CCC.
What is the InChIKey of 2-(aminomethyl)-2-propylpentan-1-ol?
The InChIKey is XRUXFCDVMBSENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-3-5-9(7-10,8-11)6-4-2/h11H,3-8,10H2,1-2H3.
What are the key properties of 2-(aminomethyl)-2-propylpentan-1-ol?
2-(aminomethyl)-2-propylpentan-1-ol has a molecular weight of 159.27 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-propylpentan-1-ol is sourced from PubChem (CID 23120774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).