N,3-diethyl-5-methylcyclohexan-1-amine;ethane

C13H29N — CID 144914242

IUPACN,3-diethyl-5-methylcyclohexan-1-amine;ethane
SMILESCC.CCNC1CC(C)CC(CC)C1
InChIInChI=1S/C11H23N.C2H6/c1-4-10-6-9(3)7-11(8-10)12-5-2;1-2/h9-12H,4-8H2,1-3H3;1-2H3
InChIKeyJUVYKEGZISTMRA-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.84
Rot. Bonds3

About N,3-diethyl-5-methylcyclohexan-1-amine;ethane

N,3-diethyl-5-methylcyclohexan-1-amine;ethane (PubChem CID 144914242) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N,3-diethyl-5-methylcyclohexan-1-amine;ethane.

Molecular Properties

Compound NameN,3-diethyl-5-methylcyclohexan-1-amine;ethane
PubChem CID144914242
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN,3-diethyl-5-methylcyclohexan-1-amine;ethane
SMILESCC.CCNC1CC(C)CC(CC)C1
InChIInChI=1S/C11H23N.C2H6/c1-4-10-6-9(3)7-11(8-10)12-5-2;1-2/h9-12H,4-8H2,1-3H3;1-2H3
InChIKeyJUVYKEGZISTMRA-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64722982
3-ethyl-N,5-dimethylcyclohexan-1-amine
CID 143338099
3-butan-2-yl-N,5-diethylcyclohexan-1-amine
CID 130343476
[(1R,3R,5R)-3-ethyl-5-methylcyclohexyl]methanol
CID 14940084
trans-(3S,4S)-N-ethyl-3,4-dimethoxycyclopentan-1-amine
CID 166901731
3-methyl-N-[(E)-pent-2-enyl]cyclobutan-1-amine
CID 131248317
acetamide;1-ethyl-3-methylcyclobutane
CID 145484121
N-ethyl-8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62738650
N-[(3,3-difluorocyclobutyl)methyl]-3-methylcyclobutan-1-amine
CID 130635025
N-ethyl-3-(2-methylpropyl)cyclopentan-1-amine
CID 64504045
ethane;3-(ethylamino)cyclobutane-1-carbonitrile
CID 171820400
ethane;1-ethyl-3-methylcyclopentane;propane
CID 162724800

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-5-methylcyclohexan-1-amine;ethane?
The IUPAC name of N,3-diethyl-5-methylcyclohexan-1-amine;ethane (CID 144914242) is N,3-diethyl-5-methylcyclohexan-1-amine;ethane.
What is the SMILES notation for N,3-diethyl-5-methylcyclohexan-1-amine;ethane?
The canonical SMILES for N,3-diethyl-5-methylcyclohexan-1-amine;ethane is CC.CCNC1CC(C)CC(CC)C1.
What is the InChIKey of N,3-diethyl-5-methylcyclohexan-1-amine;ethane?
The InChIKey is JUVYKEGZISTMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C2H6/c1-4-10-6-9(3)7-11(8-10)12-5-2;1-2/h9-12H,4-8H2,1-3H3;1-2H3.
What are the key properties of N,3-diethyl-5-methylcyclohexan-1-amine;ethane?
N,3-diethyl-5-methylcyclohexan-1-amine;ethane has a molecular weight of 199.38 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-5-methylcyclohexan-1-amine;ethane is sourced from PubChem (CID 144914242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).