N-(oxan-3-ylmethyl)butan-1-amine

C10H21NO — CID 61020591

IUPACN-(oxan-3-ylmethyl)butan-1-amine
SMILESCCCCNCC1CCCOC1
InChIInChI=1S/C10H21NO/c1-2-3-6-11-8-10-5-4-7-12-9-10/h10-11H,2-9H2,1H3
InChIKeyOUNVEZMXBVARCB-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds5

About N-(oxan-3-ylmethyl)butan-1-amine

N-(oxan-3-ylmethyl)butan-1-amine (PubChem CID 61020591) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-(oxan-3-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-(oxan-3-ylmethyl)butan-1-amine
PubChem CID61020591
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-(oxan-3-ylmethyl)butan-1-amine
SMILESCCCCNCC1CCCOC1
InChIInChI=1S/C10H21NO/c1-2-3-6-11-8-10-5-4-7-12-9-10/h10-11H,2-9H2,1H3
InChIKeyOUNVEZMXBVARCB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(oxan-3-ylmethyl)nonan-1-amine
CID 61020606
3-ethoxy-N-(oxan-3-ylmethyl)propan-1-amine
CID 63738389
3-fluoro-N-(oxan-3-ylmethyl)propan-1-amine
CID 81105564
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
N-(oxan-3-ylmethyl)-2-propoxyethanamine
CID 106451725
N-methyl-4-(oxan-3-ylmethylamino)butanamide
CID 63890126
N',N'-diethyl-N-[[(3R)-oxan-3-yl]methyl]ethane-1,2-diamine
CID 93449849
2-cyclopentyl-N-(oxan-3-ylmethyl)ethanamine
CID 63741099
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
1-cyclopentyl-N-(oxan-3-ylmethyl)methanamine
CID 61342622
N-butyl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63708148
N-butyl-2-(oxan-3-ylmethylamino)propanamide
CID 54906033

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-ylmethyl)butan-1-amine?
The IUPAC name of N-(oxan-3-ylmethyl)butan-1-amine (CID 61020591) is N-(oxan-3-ylmethyl)butan-1-amine.
What is the SMILES notation for N-(oxan-3-ylmethyl)butan-1-amine?
The canonical SMILES for N-(oxan-3-ylmethyl)butan-1-amine is CCCCNCC1CCCOC1.
What is the InChIKey of N-(oxan-3-ylmethyl)butan-1-amine?
The InChIKey is OUNVEZMXBVARCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-2-3-6-11-8-10-5-4-7-12-9-10/h10-11H,2-9H2,1H3.
What are the key properties of N-(oxan-3-ylmethyl)butan-1-amine?
N-(oxan-3-ylmethyl)butan-1-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-(oxan-3-ylmethyl)butan-1-amine is sourced from PubChem (CID 61020591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).