N-(2-methylpropyl)oxan-4-amine

C9H19NO — CID 43608322

IUPACN-(2-methylpropyl)oxan-4-amine
SMILESCC(C)CNC1CCOCC1
InChIInChI=1S/C9H19NO/c1-8(2)7-10-9-3-5-11-6-4-9/h8-10H,3-7H2,1-2H3
InChIKeyBFKMNHAIVNKGED-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.41
Rot. Bonds3

About N-(2-methylpropyl)oxan-4-amine

N-(2-methylpropyl)oxan-4-amine (PubChem CID 43608322) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-(2-methylpropyl)oxan-4-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)oxan-4-amine
PubChem CID43608322
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-(2-methylpropyl)oxan-4-amine
SMILESCC(C)CNC1CCOCC1
InChIInChI=1S/C9H19NO/c1-8(2)7-10-9-3-5-11-6-4-9/h8-10H,3-7H2,1-2H3
InChIKeyBFKMNHAIVNKGED-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-(2-methylpropyl)oxan-4-amine?
The IUPAC name of N-(2-methylpropyl)oxan-4-amine (CID 43608322) is N-(2-methylpropyl)oxan-4-amine.
What is the SMILES notation for N-(2-methylpropyl)oxan-4-amine?
The canonical SMILES for N-(2-methylpropyl)oxan-4-amine is CC(C)CNC1CCOCC1.
What is the InChIKey of N-(2-methylpropyl)oxan-4-amine?
The InChIKey is BFKMNHAIVNKGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)7-10-9-3-5-11-6-4-9/h8-10H,3-7H2,1-2H3.
What are the key properties of N-(2-methylpropyl)oxan-4-amine?
N-(2-methylpropyl)oxan-4-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-(2-methylpropyl)oxan-4-amine is sourced from PubChem (CID 43608322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).