N'-(4-ethylcyclohexyl)-N,N'-dimethylbutane-1,4-diamine

C14H30N2 — CID 61449335

IUPACN'-(4-ethylcyclohexyl)-N,N'-dimethylbutane-1,4-diamine
SMILESCCC1CCC(N(C)CCCCNC)CC1
InChIInChI=1S/C14H30N2/c1-4-13-7-9-14(10-8-13)16(3)12-6-5-11-15-2/h13-15H,4-12H2,1-3H3
InChIKeyAUZKMORJSUOKSK-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.89
Rot. Bonds7

About N'-(4-ethylcyclohexyl)-N,N'-dimethylbutane-1,4-diamine

N'-(4-ethylcyclohexyl)-N,N'-dimethylbutane-1,4-diamine (PubChem CID 61449335) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N'-(4-ethylcyclohexyl)-N,N'-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(4-ethylcyclohexyl)-N,N'-dimethylbutane-1,4-diamine
PubChem CID61449335
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN'-(4-ethylcyclohexyl)-N,N'-dimethylbutane-1,4-diamine
SMILESCCC1CCC(N(C)CCCCNC)CC1
InChIInChI=1S/C14H30N2/c1-4-13-7-9-14(10-8-13)16(3)12-6-5-11-15-2/h13-15H,4-12H2,1-3H3
InChIKeyAUZKMORJSUOKSK-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-ethylcyclohexyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine
CID 62412330
N-butyl-4-ethyl-N-methylcyclohexan-1-amine;ethane
CID 155582825
N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
CID 61387268
N-cyclopropyl-N'-(4-ethylcyclohexyl)-N'-methylethane-1,2-diamine
CID 61449433
5-[(4-ethylcyclohexyl)-methylamino]pentanethioamide
CID 54967192
N'-cyclopropyl-N'-(cyclopropylmethyl)-N-methylbutane-1,4-diamine
CID 64522169
5-[(4-ethylcyclohexyl)-methylamino]pentan-2-one
CID 61449187
N-butyl-N-methyl-4-(methylaminomethyl)cyclohexan-1-amine;molecular hydrogen
CID 169213903
3-[(4-ethylcyclohexyl)-methylamino]propanenitrile
CID 61450909
N'-cyclohexyl-N-(4-ethylcycloheptyl)-N'-methylpropane-1,3-diamine
CID 65083055
N-tert-butyl-N'-cyclopropyl-N'-methylpentane-1,5-diamine
CID 62418711
4-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybutanimidamide
CID 54948412

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylcyclohexyl)-N,N'-dimethylbutane-1,4-diamine?
The IUPAC name of N'-(4-ethylcyclohexyl)-N,N'-dimethylbutane-1,4-diamine (CID 61449335) is N'-(4-ethylcyclohexyl)-N,N'-dimethylbutane-1,4-diamine.
What is the SMILES notation for N'-(4-ethylcyclohexyl)-N,N'-dimethylbutane-1,4-diamine?
The canonical SMILES for N'-(4-ethylcyclohexyl)-N,N'-dimethylbutane-1,4-diamine is CCC1CCC(N(C)CCCCNC)CC1.
What is the InChIKey of N'-(4-ethylcyclohexyl)-N,N'-dimethylbutane-1,4-diamine?
The InChIKey is AUZKMORJSUOKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-13-7-9-14(10-8-13)16(3)12-6-5-11-15-2/h13-15H,4-12H2,1-3H3.
What are the key properties of N'-(4-ethylcyclohexyl)-N,N'-dimethylbutane-1,4-diamine?
N'-(4-ethylcyclohexyl)-N,N'-dimethylbutane-1,4-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylcyclohexyl)-N,N'-dimethylbutane-1,4-diamine is sourced from PubChem (CID 61449335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).