N-(cyclobutylmethyl)-2-[(1R,2S)-2-methoxycyclohexyl]ethanamine

C14H27NO — CID 97035239

IUPACN-(cyclobutylmethyl)-2-[(1R,2S)-2-methoxycyclohexyl]ethanamine
SMILESCO[C@H]1CCCC[C@@H]1CCNCC1CCC1
InChIInChI=1S/C14H27NO/c1-16-14-8-3-2-7-13(14)9-10-15-11-12-5-4-6-12/h12-15H,2-11H2,1H3/t13-,14+/m1/s1
InChIKeyZHGKGBHCJDLRPG-KGLIPLIRSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds6

About N-(cyclobutylmethyl)-2-[(1R,2S)-2-methoxycyclohexyl]ethanamine

N-(cyclobutylmethyl)-2-[(1R,2S)-2-methoxycyclohexyl]ethanamine (PubChem CID 97035239) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-[(1R,2S)-2-methoxycyclohexyl]ethanamine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-[(1R,2S)-2-methoxycyclohexyl]ethanamine
PubChem CID97035239
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-(cyclobutylmethyl)-2-[(1R,2S)-2-methoxycyclohexyl]ethanamine
SMILESCO[C@H]1CCCC[C@@H]1CCNCC1CCC1
InChIInChI=1S/C14H27NO/c1-16-14-8-3-2-7-13(14)9-10-15-11-12-5-4-6-12/h12-15H,2-11H2,1H3/t13-,14+/m1/s1
InChIKeyZHGKGBHCJDLRPG-KGLIPLIRSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[(1R,2R)-2-methoxycyclohexyl]ethanamine
CID 97035459
N-[2-[(1S,2S)-2-methoxycyclohexyl]ethyl]prop-2-en-1-amine
CID 97035405
N-[2-[(1R,2S)-2-methoxycyclohexyl]ethyl]prop-2-en-1-amine
CID 97035403
N-(cyclobutylmethyl)-2-cyclohexylethanamine
CID 65457561
2-cyclononyl-N-(cyclononylmethyl)ethanamine
CID 91347612
1-[(2R)-2-methoxycyclohexyl]-N-methylmethanamine
CID 142251014
1-methoxy-2-[(3-methoxycyclohexyl)methyl]cyclohexane
CID 174907691
methyl 4-(2-methoxycyclohexyl)butanoate
CID 12546372
N-[(2-methoxycyclopentyl)methyl]propan-2-amine
CID 170206706
N-[(2-methoxycyclopentyl)methyl]acetamide
CID 130918496
3-[(1S,2S)-2-methoxycyclohexyl]propanenitrile
CID 71404330
3-[(1R,2R)-2-methoxycyclohexyl]propanenitrile
CID 12555919

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-[(1R,2S)-2-methoxycyclohexyl]ethanamine?
The IUPAC name of N-(cyclobutylmethyl)-2-[(1R,2S)-2-methoxycyclohexyl]ethanamine (CID 97035239) is N-(cyclobutylmethyl)-2-[(1R,2S)-2-methoxycyclohexyl]ethanamine.
What is the SMILES notation for N-(cyclobutylmethyl)-2-[(1R,2S)-2-methoxycyclohexyl]ethanamine?
The canonical SMILES for N-(cyclobutylmethyl)-2-[(1R,2S)-2-methoxycyclohexyl]ethanamine is CO[C@H]1CCCC[C@@H]1CCNCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-2-[(1R,2S)-2-methoxycyclohexyl]ethanamine?
The InChIKey is ZHGKGBHCJDLRPG-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H27NO/c1-16-14-8-3-2-7-13(14)9-10-15-11-12-5-4-6-12/h12-15H,2-11H2,1H3/t13-,14+/m1/s1.
What are the key properties of N-(cyclobutylmethyl)-2-[(1R,2S)-2-methoxycyclohexyl]ethanamine?
N-(cyclobutylmethyl)-2-[(1R,2S)-2-methoxycyclohexyl]ethanamine has a molecular weight of 225.38 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-[(1R,2S)-2-methoxycyclohexyl]ethanamine is sourced from PubChem (CID 97035239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).