N-[(4-ethylcyclohexyl)methyl]-N-methylpropan-2-amine

C13H27N — CID 170952528

IUPACN-[(4-ethylcyclohexyl)methyl]-N-methylpropan-2-amine
SMILESCCC1CCC(CN(C)C(C)C)CC1
InChIInChI=1S/C13H27N/c1-5-12-6-8-13(9-7-12)10-14(4)11(2)3/h11-13H,5-10H2,1-4H3
InChIKeyOKMVDFJLHKKSFQ-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.54
Rot. Bonds4

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

N-[(4-ethylcyclohexyl)methyl]-N-methylpropan-2-amine (PubChem CID 170952528) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-N-methylpropan-2-amine
PubChem CID170952528
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-N-methylpropan-2-amine
SMILESCCC1CCC(CN(C)C(C)C)CC1
InChIInChI=1S/C13H27N/c1-5-12-6-8-13(9-7-12)10-14(4)11(2)3/h11-13H,5-10H2,1-4H3
InChIKeyOKMVDFJLHKKSFQ-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclohexylmethyl)-N-methylpropan-2-amine
CID 18711540
bis(N-(cyclopropylmethyl)-N-methylpropan-2-amine);bis(3-methylbutylcyclopropane)
CID 167643332
4-[[methyl(propan-2-yl)amino]methyl]cyclohexan-1-one
CID 115240058
N-methyl-N-(oxetan-3-ylmethyl)propan-2-amine
CID 58519664
ethane;ethylcyclopropane
CID 91380076
azane;ethylcyclopropane
CID 20975579
(2R)-2-[cyclobutylmethyl(methyl)amino]propan-1-ol
CID 131200890
4-ethyl-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 155402155
N-methyl-N-[[4-[4-(3-methylbutyl)piperazin-1-yl]cyclohexyl]methyl]propan-2-amine
CID 176612367
4-[cyclopropylmethyl(methyl)amino]pentanoic acid
CID 62213989
2-ethoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone
CID 61242500
2-[cyclohexylmethyl(methyl)amino]propan-1-ol
CID 115772276

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-N-methylpropan-2-amine?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-N-methylpropan-2-amine (CID 170952528) is N-[(4-ethylcyclohexyl)methyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-N-methylpropan-2-amine is CCC1CCC(CN(C)C(C)C)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-N-methylpropan-2-amine?
The InChIKey is OKMVDFJLHKKSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-5-12-6-8-13(9-7-12)10-14(4)11(2)3/h11-13H,5-10H2,1-4H3.
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-N-methylpropan-2-amine?
N-[(4-ethylcyclohexyl)methyl]-N-methylpropan-2-amine has a molecular weight of 197.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 170952528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).