(1S)-1-cycloheptyl-N-[(3-methyloxetan-3-yl)methyl]ethanamine

C14H27NO — CID 81393158

IUPAC(1S)-1-cycloheptyl-N-[(3-methyloxetan-3-yl)methyl]ethanamine
SMILESC[C@H](NCC1(C)COC1)C1CCCCCC1
InChIInChI=1S/C14H27NO/c1-12(13-7-5-3-4-6-8-13)15-9-14(2)10-16-11-14/h12-13,15H,3-11H2,1-2H3/t12-/m0/s1
InChIKeyMQYJZISHKBDERH-LBPRGKRZSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds4

About (1S)-1-cycloheptyl-N-[(3-methyloxetan-3-yl)methyl]ethanamine

(1S)-1-cycloheptyl-N-[(3-methyloxetan-3-yl)methyl]ethanamine (PubChem CID 81393158) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (1S)-1-cycloheptyl-N-[(3-methyloxetan-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cycloheptyl-N-[(3-methyloxetan-3-yl)methyl]ethanamine
PubChem CID81393158
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(1S)-1-cycloheptyl-N-[(3-methyloxetan-3-yl)methyl]ethanamine
SMILESC[C@H](NCC1(C)COC1)C1CCCCCC1
InChIInChI=1S/C14H27NO/c1-12(13-7-5-3-4-6-8-13)15-9-14(2)10-16-11-14/h12-13,15H,3-11H2,1-2H3/t12-/m0/s1
InChIKeyMQYJZISHKBDERH-LBPRGKRZSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-cycloheptyl-N-[(3-methyloxetan-3-yl)methyl]ethanamine 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

1-cyclopentyl-N-[(4-methyloxan-4-yl)methyl]ethanamine
CID 115893016
1-cyclohexyl-N-[(1-methylcyclobutyl)methyl]ethanamine;hydrochloride
CID 115683928
1-[[[(1R)-1-cyclohexylethyl]amino]methyl]cyclohexan-1-ol
CID 81385046
1-cyclohexyl-N-[(1-ethylcyclopropyl)methyl]ethanamine;hydrochloride
CID 115683925
[1-[(1-cyclopentylethylamino)methyl]cyclohexyl]methanol
CID 81419658
N-[(1-methylcyclopentyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115889581
1-cyclohexyl-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80725460
N-[(1-methylcyclopropyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 103902883
1-cyclopentyl-N-ethylethanamine
CID 60819244
N-[(1R)-1-cycloheptylethyl]propan-1-amine
CID 81393503
2-[[(1R)-1-cyclohexylethyl]amino]acetonitrile
CID 81385869
(1S)-1-cyclohexyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 104889526

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cycloheptyl-N-[(3-methyloxetan-3-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-cycloheptyl-N-[(3-methyloxetan-3-yl)methyl]ethanamine (CID 81393158) is (1S)-1-cycloheptyl-N-[(3-methyloxetan-3-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-cycloheptyl-N-[(3-methyloxetan-3-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-cycloheptyl-N-[(3-methyloxetan-3-yl)methyl]ethanamine is C[C@H](NCC1(C)COC1)C1CCCCCC1.
What is the InChIKey of (1S)-1-cycloheptyl-N-[(3-methyloxetan-3-yl)methyl]ethanamine?
The InChIKey is MQYJZISHKBDERH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H27NO/c1-12(13-7-5-3-4-6-8-13)15-9-14(2)10-16-11-14/h12-13,15H,3-11H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-cycloheptyl-N-[(3-methyloxetan-3-yl)methyl]ethanamine?
(1S)-1-cycloheptyl-N-[(3-methyloxetan-3-yl)methyl]ethanamine has a molecular weight of 225.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cycloheptyl-N-[(3-methyloxetan-3-yl)methyl]ethanamine is sourced from PubChem (CID 81393158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).