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

C10H21NO — CID 61269935

IUPACN-(oxan-4-ylmethyl)butan-2-amine
SMILESCCC(C)NCC1CCOCC1
InChIInChI=1S/C10H21NO/c1-3-9(2)11-8-10-4-6-12-7-5-10/h9-11H,3-8H2,1-2H3
InChIKeyHDKQRXANIHTVHN-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds4

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

N-(oxan-4-ylmethyl)butan-2-amine (PubChem CID 61269935) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)butan-2-amine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)butan-2-amine
PubChem CID61269935
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-(oxan-4-ylmethyl)butan-2-amine
SMILESCCC(C)NCC1CCOCC1
InChIInChI=1S/C10H21NO/c1-3-9(2)11-8-10-4-6-12-7-5-10/h9-11H,3-8H2,1-2H3
InChIKeyHDKQRXANIHTVHN-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-(oxan-4-ylmethyl)butan-2-amine?
The IUPAC name of N-(oxan-4-ylmethyl)butan-2-amine (CID 61269935) is N-(oxan-4-ylmethyl)butan-2-amine.
What is the SMILES notation for N-(oxan-4-ylmethyl)butan-2-amine?
The canonical SMILES for N-(oxan-4-ylmethyl)butan-2-amine is CCC(C)NCC1CCOCC1.
What is the InChIKey of N-(oxan-4-ylmethyl)butan-2-amine?
The InChIKey is HDKQRXANIHTVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-9(2)11-8-10-4-6-12-7-5-10/h9-11H,3-8H2,1-2H3.
What are the key properties of N-(oxan-4-ylmethyl)butan-2-amine?
N-(oxan-4-ylmethyl)butan-2-amine has a molecular weight of 171.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)butan-2-amine is sourced from PubChem (CID 61269935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).