N-[(4-ethylcyclohexyl)methyl]-2-methyloxolan-3-amine

C14H27NO — CID 115338207

IUPACN-[(4-ethylcyclohexyl)methyl]-2-methyloxolan-3-amine
SMILESCCC1CCC(CNC2CCOC2C)CC1
InChIInChI=1S/C14H27NO/c1-3-12-4-6-13(7-5-12)10-15-14-8-9-16-11(14)2/h11-15H,3-10H2,1-2H3
InChIKeyJOXDTNSUAJNDPD-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds4

About N-[(4-ethylcyclohexyl)methyl]-2-methyloxolan-3-amine

N-[(4-ethylcyclohexyl)methyl]-2-methyloxolan-3-amine (PubChem CID 115338207) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-2-methyloxolan-3-amine
PubChem CID115338207
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-2-methyloxolan-3-amine
SMILESCCC1CCC(CNC2CCOC2C)CC1
InChIInChI=1S/C14H27NO/c1-3-12-4-6-13(7-5-12)10-15-14-8-9-16-11(14)2/h11-15H,3-10H2,1-2H3
InChIKeyJOXDTNSUAJNDPD-UHFFFAOYSA-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

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Related Compounds

(2R,3S)-N-(cyclopropylmethyl)-2-methyloxolan-3-amine
CID 97358188
2-methyl-N-(oxan-3-ylmethyl)oxolan-3-amine
CID 115336064
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methyloxolan-3-amine
CID 115335792
4-[[(2-methyloxolan-3-yl)amino]methyl]pyrrolidin-2-one
CID 130899240
2-methyl-N-propyloxolan-3-amine;hydrochloride
CID 146154013
(2R,3R)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]oxolan-3-amine
CID 97358136
N-[(2,2-dimethylcyclopropyl)methyl]-2-methyloxolan-3-amine
CID 103902167
N-(cyclopropylmethyl)-4,5-dimethyloxolan-3-amine
CID 164656653
4-ethyl-N-[(4-ethylcyclohexyl)methyl]cyclohexan-1-amine
CID 55192738
(2S,3R)-2-methyl-N-(2-methylpropyl)oxolan-3-amine
CID 97358057
2-methyl-N-[(4-methylmorpholin-2-yl)methyl]oxolan-3-amine
CID 75525404
(2S,3R)-2-methyl-N-pentyloxolan-3-amine
CID 97358110

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-2-methyloxolan-3-amine?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-2-methyloxolan-3-amine (CID 115338207) is N-[(4-ethylcyclohexyl)methyl]-2-methyloxolan-3-amine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-2-methyloxolan-3-amine?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-2-methyloxolan-3-amine is CCC1CCC(CNC2CCOC2C)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-2-methyloxolan-3-amine?
The InChIKey is JOXDTNSUAJNDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-12-4-6-13(7-5-12)10-15-14-8-9-16-11(14)2/h11-15H,3-10H2,1-2H3.
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-2-methyloxolan-3-amine?
N-[(4-ethylcyclohexyl)methyl]-2-methyloxolan-3-amine 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 N-[(4-ethylcyclohexyl)methyl]-2-methyloxolan-3-amine is sourced from PubChem (CID 115338207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).