[1-(oxan-4-yl)cyclopropyl]methanamine

C9H17NO — CID 59234193

IUPAC[1-(oxan-4-yl)cyclopropyl]methanamine
SMILESNCC1(C2CCOCC2)CC1
InChIInChI=1S/C9H17NO/c10-7-9(3-4-9)8-1-5-11-6-2-8/h8H,1-7,10H2
InChIKeyQBGYHKMEMCKELD-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.15
Rot. Bonds2

About [1-(oxan-4-yl)cyclopropyl]methanamine

[1-(oxan-4-yl)cyclopropyl]methanamine (PubChem CID 59234193) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is [1-(oxan-4-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(oxan-4-yl)cyclopropyl]methanamine
PubChem CID59234193
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name[1-(oxan-4-yl)cyclopropyl]methanamine
SMILESNCC1(C2CCOCC2)CC1
InChIInChI=1S/C9H17NO/c10-7-9(3-4-9)8-1-5-11-6-2-8/h8H,1-7,10H2
InChIKeyQBGYHKMEMCKELD-UHFFFAOYSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(oxan-4-yl)cyclopropyl]methanamine 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

6-Oxaspiro[2.5]octan-1-ylmethanamine
CID 62707969
2-Methyl-2-(oxan-4-yl)propan-1-amine
CID 57429862
1-(4-(Cyclopropylmethyl)oxan-4-yl)methanamine
CID 82412650
1-[1-(Oxolan-3-yl)cyclopropyl]methanamine
CID 126977446
(2,2-Difluoro-6-oxaspiro(2.5)octan-1-yl)methanamine hydrochloride
CID 137965842
[2-(2-Propoxyethyl)cyclopropyl]methanamine
CID 129172686
rac-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanamine
CID 94558177
3-Fluoro-2,2-dimethyl-3-(oxan-4-yl)butan-1-amine
CID 105455791
2-Fluoro-2-(oxan-4-yl)butan-1-amine
CID 112565970
2-Fluoro-3,3-dimethyl-2-(oxan-4-yl)butan-1-amine
CID 112566499
2-Cyclopropyl-2-fluoro-2-(oxan-4-yl)ethanamine
CID 112567126
1-[1-(Fluoromethyl)-6-oxaspiro[2.5]octan-1-yl]methanamine
CID 137930410

Frequently Asked Questions

What is the IUPAC name of [1-(oxan-4-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(oxan-4-yl)cyclopropyl]methanamine (CID 59234193) is [1-(oxan-4-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(oxan-4-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(oxan-4-yl)cyclopropyl]methanamine is NCC1(C2CCOCC2)CC1.
What is the InChIKey of [1-(oxan-4-yl)cyclopropyl]methanamine?
The InChIKey is QBGYHKMEMCKELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c10-7-9(3-4-9)8-1-5-11-6-2-8/h8H,1-7,10H2.
What are the key properties of [1-(oxan-4-yl)cyclopropyl]methanamine?
[1-(oxan-4-yl)cyclopropyl]methanamine has a molecular weight of 155.24 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxan-4-yl)cyclopropyl]methanamine is sourced from PubChem (CID 59234193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).