N-(oxan-4-ylmethyl)propan-2-amine

C9H19NO — CID 21034342

IUPACN-(oxan-4-ylmethyl)propan-2-amine
SMILESCC(C)NCC1CCOCC1
InChIInChI=1S/C9H19NO/c1-8(2)10-7-9-3-5-11-6-4-9/h8-10H,3-7H2,1-2H3
InChIKeyPJIHKHXGXQEBFZ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.41
Rot. Bonds3

About N-(oxan-4-ylmethyl)propan-2-amine

N-(oxan-4-ylmethyl)propan-2-amine (PubChem CID 21034342) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)propan-2-amine
PubChem CID21034342
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-(oxan-4-ylmethyl)propan-2-amine
SMILESCC(C)NCC1CCOCC1
InChIInChI=1S/C9H19NO/c1-8(2)10-7-9-3-5-11-6-4-9/h8-10H,3-7H2,1-2H3
InChIKeyPJIHKHXGXQEBFZ-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)propan-2-amine?
The IUPAC name of N-(oxan-4-ylmethyl)propan-2-amine (CID 21034342) is N-(oxan-4-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(oxan-4-ylmethyl)propan-2-amine?
The canonical SMILES for N-(oxan-4-ylmethyl)propan-2-amine is CC(C)NCC1CCOCC1.
What is the InChIKey of N-(oxan-4-ylmethyl)propan-2-amine?
The InChIKey is PJIHKHXGXQEBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)10-7-9-3-5-11-6-4-9/h8-10H,3-7H2,1-2H3.
What are the key properties of N-(oxan-4-ylmethyl)propan-2-amine?
N-(oxan-4-ylmethyl)propan-2-amine has a molecular weight of 157.26 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 21034342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).