N-(oxolan-3-ylmethyl)pentan-2-amine

C10H21NO — CID 43191499

IUPACN-(oxolan-3-ylmethyl)pentan-2-amine
SMILESCCCC(C)NCC1CCOC1
InChIInChI=1S/C10H21NO/c1-3-4-9(2)11-7-10-5-6-12-8-10/h9-11H,3-8H2,1-2H3
InChIKeyBJKSSLSQSYBAFQ-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds5

About N-(oxolan-3-ylmethyl)pentan-2-amine

N-(oxolan-3-ylmethyl)pentan-2-amine (PubChem CID 43191499) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)pentan-2-amine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)pentan-2-amine
PubChem CID43191499
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-(oxolan-3-ylmethyl)pentan-2-amine
SMILESCCCC(C)NCC1CCOC1
InChIInChI=1S/C10H21NO/c1-3-4-9(2)11-7-10-5-6-12-8-10/h9-11H,3-8H2,1-2H3
InChIKeyBJKSSLSQSYBAFQ-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)pentan-2-amine?
The IUPAC name of N-(oxolan-3-ylmethyl)pentan-2-amine (CID 43191499) is N-(oxolan-3-ylmethyl)pentan-2-amine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)pentan-2-amine?
The canonical SMILES for N-(oxolan-3-ylmethyl)pentan-2-amine is CCCC(C)NCC1CCOC1.
What is the InChIKey of N-(oxolan-3-ylmethyl)pentan-2-amine?
The InChIKey is BJKSSLSQSYBAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-4-9(2)11-7-10-5-6-12-8-10/h9-11H,3-8H2,1-2H3.
What are the key properties of N-(oxolan-3-ylmethyl)pentan-2-amine?
N-(oxolan-3-ylmethyl)pentan-2-amine has a molecular weight of 171.28 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)pentan-2-amine is sourced from PubChem (CID 43191499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).