N-[(4-ethylcyclohexyl)methyl]-3-methoxycyclobutan-1-amine

C14H27NO — CID 104871436

IUPACN-[(4-ethylcyclohexyl)methyl]-3-methoxycyclobutan-1-amine
SMILESCCC1CCC(CNC2CC(OC)C2)CC1
InChIInChI=1S/C14H27NO/c1-3-11-4-6-12(7-5-11)10-15-13-8-14(9-13)16-2/h11-15H,3-10H2,1-2H3
InChIKeyNLTOLRUVXQXCOF-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds5

About N-[(4-ethylcyclohexyl)methyl]-3-methoxycyclobutan-1-amine

N-[(4-ethylcyclohexyl)methyl]-3-methoxycyclobutan-1-amine (PubChem CID 104871436) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-3-methoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-3-methoxycyclobutan-1-amine
PubChem CID104871436
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-3-methoxycyclobutan-1-amine
SMILESCCC1CCC(CNC2CC(OC)C2)CC1
InChIInChI=1S/C14H27NO/c1-3-11-4-6-12(7-5-11)10-15-13-8-14(9-13)16-2/h11-15H,3-10H2,1-2H3
InChIKeyNLTOLRUVXQXCOF-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

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Related Compounds

4-ethyl-N-[(4-ethylcyclohexyl)methyl]cyclohexan-1-amine
CID 55192738
N-[(4-ethylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561721
3-methoxy-N-[(3-methylcyclohexyl)methyl]cyclobutan-1-amine
CID 104589902
3-N-[(4-ethylcyclohexyl)methyl]cyclopentane-1,3-diamine
CID 79461789
N-[(2,2-dimethylcyclopropyl)methyl]-3-methoxycyclobutan-1-amine
CID 104871472
3-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine
CID 104871157
N-hexyl-3-methoxycyclobutan-1-amine
CID 104870767
N-[(4-ethylcyclohexyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428318
N-(2,2-dimethylbutyl)-3-methoxycyclobutan-1-amine
CID 104588064
4-methoxy-N-(thian-4-ylmethyl)cyclohexan-1-amine
CID 104530194
2-[[(3-methoxycyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106824408
N-[(4-ethylcyclohexyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine
CID 63451775

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-3-methoxycyclobutan-1-amine?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-3-methoxycyclobutan-1-amine (CID 104871436) is N-[(4-ethylcyclohexyl)methyl]-3-methoxycyclobutan-1-amine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-3-methoxycyclobutan-1-amine?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-3-methoxycyclobutan-1-amine is CCC1CCC(CNC2CC(OC)C2)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-3-methoxycyclobutan-1-amine?
The InChIKey is NLTOLRUVXQXCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-11-4-6-12(7-5-11)10-15-13-8-14(9-13)16-2/h11-15H,3-10H2,1-2H3.
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-3-methoxycyclobutan-1-amine?
N-[(4-ethylcyclohexyl)methyl]-3-methoxycyclobutan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-3-methoxycyclobutan-1-amine is sourced from PubChem (CID 104871436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).