2-N-butyl-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine

C15H32N2 — CID 64724627

IUPAC2-N-butyl-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine
SMILESCCCCN(CC)C1C(C)CC(C)CC1NC
InChIInChI=1S/C15H32N2/c1-6-8-9-17(7-2)15-13(4)10-12(3)11-14(15)16-5/h12-16H,6-11H2,1-5H3
InChIKeyLRWYKSMQWBBILC-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.13
Rot. Bonds6

About 2-N-butyl-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine

2-N-butyl-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine (PubChem CID 64724627) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 2-N-butyl-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-butyl-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine
PubChem CID64724627
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name2-N-butyl-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine
SMILESCCCCN(CC)C1C(C)CC(C)CC1NC
InChIInChI=1S/C15H32N2/c1-6-8-9-17(7-2)15-13(4)10-12(3)11-14(15)16-5/h12-16H,6-11H2,1-5H3
InChIKeyLRWYKSMQWBBILC-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-ethyl-1-N,3,5-trimethyl-2-N-propylcyclohexane-1,2-diamine
CID 64724640
2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine
CID 102992390
2-N-butyl-2-N-ethyl-3,5-dimethyl-1-N-propylcyclohexane-1,2-diamine
CID 64724626
2-N-ethyl-2-N-(2-ethylbutyl)-1-N,3,5-trimethylcyclohexane-1,2-diamine
CID 64751735
1-N,2-N,3,5-tetramethyl-2-N-propylcyclohexane-1,2-diamine
CID 64724829
2-N-butyl-2-N,3,5-trimethyl-1-N-propylcyclohexane-1,2-diamine
CID 64724621
1-N,2-N,3,5-tetramethyl-2-N-propan-2-ylcyclohexane-1,2-diamine
CID 64724225
1-N-ethyl-2-N,3,5-trimethyl-2-N-pentylcyclohexane-1,2-diamine
CID 64724849
N,3,5-trimethyl-2-pentoxycyclohexan-1-amine
CID 64753575
2-N-(2,2-dimethylpropyl)-1-N,2-N,3,5-tetramethylcyclohexane-1,2-diamine
CID 64753530
2-N-[2-(dimethylamino)ethyl]-1-N-ethyl-3,5-dimethyl-2-N-propylcyclohexane-1,2-diamine
CID 64751354
N,3,5-trimethyl-2-pentylsulfanylcyclohexan-1-amine
CID 107762877

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-butyl-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine (CID 64724627) is 2-N-butyl-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-butyl-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-butyl-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine is CCCCN(CC)C1C(C)CC(C)CC1NC.
What is the InChIKey of 2-N-butyl-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine?
The InChIKey is LRWYKSMQWBBILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-6-8-9-17(7-2)15-13(4)10-12(3)11-14(15)16-5/h12-16H,6-11H2,1-5H3.
What are the key properties of 2-N-butyl-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine?
2-N-butyl-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine is sourced from PubChem (CID 64724627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).