N-ethyl-N'-(1-methylcyclohexyl)propane-1,3-diamine

C12H26N2 — CID 62835794

IUPACN-ethyl-N'-(1-methylcyclohexyl)propane-1,3-diamine
SMILESCCNCCCNC1(C)CCCCC1
InChIInChI=1S/C12H26N2/c1-3-13-10-7-11-14-12(2)8-5-4-6-9-12/h13-14H,3-11H2,1-2H3
InChIKeyJSSAVDAFGFTYRZ-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.30
Rot. Bonds6

About N-ethyl-N'-(1-methylcyclohexyl)propane-1,3-diamine

N-ethyl-N'-(1-methylcyclohexyl)propane-1,3-diamine (PubChem CID 62835794) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-ethyl-N'-(1-methylcyclohexyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-(1-methylcyclohexyl)propane-1,3-diamine
PubChem CID62835794
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-ethyl-N'-(1-methylcyclohexyl)propane-1,3-diamine
SMILESCCNCCCNC1(C)CCCCC1
InChIInChI=1S/C12H26N2/c1-3-13-10-7-11-14-12(2)8-5-4-6-9-12/h13-14H,3-11H2,1-2H3
InChIKeyJSSAVDAFGFTYRZ-UHFFFAOYSA-N
XLogP2.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-decyl-1-methylcyclohexan-1-amine
CID 63491392
1-methyl-N-pentylcyclopentan-1-amine
CID 61365384
ethane;1-methyl-N-pentylcyclobutan-1-amine
CID 164868131
ethane;N-ethyl-1-methylcyclobutan-1-amine
CID 177037581
3-[(1-methylcyclopentyl)amino]propane-1-sulfinic acid
CID 142978231
N-hept-6-enyl-1-methylcyclopentan-1-amine
CID 107006665
N-[3-(2-methoxyethoxy)propyl]-1-methylcyclobutan-1-amine
CID 103409682
1-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine
CID 106723533
2-methyl-4-[(1-methylcyclohexyl)amino]butan-2-ol
CID 79361918
1-methyl-N-(2-methylidenebutyl)cyclohexan-1-amine
CID 66046891
N-(2-methoxyethyl)-N'-(1-methylcyclopentyl)ethane-1,2-diamine
CID 79290465
N-[2-(1-aminocyclopentyl)ethyl]-1-methylcyclopentan-1-amine
CID 64688862

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(1-methylcyclohexyl)propane-1,3-diamine?
The IUPAC name of N-ethyl-N'-(1-methylcyclohexyl)propane-1,3-diamine (CID 62835794) is N-ethyl-N'-(1-methylcyclohexyl)propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-(1-methylcyclohexyl)propane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-(1-methylcyclohexyl)propane-1,3-diamine is CCNCCCNC1(C)CCCCC1.
What is the InChIKey of N-ethyl-N'-(1-methylcyclohexyl)propane-1,3-diamine?
The InChIKey is JSSAVDAFGFTYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-13-10-7-11-14-12(2)8-5-4-6-9-12/h13-14H,3-11H2,1-2H3.
What are the key properties of N-ethyl-N'-(1-methylcyclohexyl)propane-1,3-diamine?
N-ethyl-N'-(1-methylcyclohexyl)propane-1,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(1-methylcyclohexyl)propane-1,3-diamine is sourced from PubChem (CID 62835794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).