N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)hexan-3-amine

C13H25NO — CID 115905772

IUPACN-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)hexan-3-amine
SMILESCCCC(CC)NCC1CC2CCC1O2
InChIInChI=1S/C13H25NO/c1-3-5-11(4-2)14-9-10-8-12-6-7-13(10)15-12/h10-14H,3-9H2,1-2H3
InChIKeyPREKEWBLHBCMKQ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.72
Rot. Bonds6

About N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)hexan-3-amine

N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)hexan-3-amine (PubChem CID 115905772) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)hexan-3-amine.

Molecular Properties

Compound NameN-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)hexan-3-amine
PubChem CID115905772
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)hexan-3-amine
SMILESCCCC(CC)NCC1CC2CCC1O2
InChIInChI=1S/C13H25NO/c1-3-5-11(4-2)14-9-10-8-12-6-7-13(10)15-12/h10-14H,3-9H2,1-2H3
InChIKeyPREKEWBLHBCMKQ-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)hexan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pentan-2-amine
CID 115720038
N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 113261565
N-heptan-3-yl-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80715916
2-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 113235526
2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide
CID 130164935
N-[(1-methylpyrrolidin-3-yl)methyl]hexan-3-amine
CID 103096871
4-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)aniline
CID 166235895
[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
CID 144577021
2-amino-4-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butanamide
CID 114267337
N-(pyrrolidin-2-ylmethyl)hexan-3-amine
CID 106638277
2-bromo-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide
CID 130505200
N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 115886354

Frequently Asked Questions

What is the IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)hexan-3-amine?
The IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)hexan-3-amine (CID 115905772) is N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)hexan-3-amine.
What is the SMILES notation for N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)hexan-3-amine?
The canonical SMILES for N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)hexan-3-amine is CCCC(CC)NCC1CC2CCC1O2.
What is the InChIKey of N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)hexan-3-amine?
The InChIKey is PREKEWBLHBCMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-5-11(4-2)14-9-10-8-12-6-7-13(10)15-12/h10-14H,3-9H2,1-2H3.
What are the key properties of N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)hexan-3-amine?
N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)hexan-3-amine has a molecular weight of 211.35 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)hexan-3-amine is sourced from PubChem (CID 115905772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).