2-N-[(4-tert-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine

C17H36N2 — CID 103109582

IUPAC2-N-[(4-tert-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine
SMILESCCN(C)CC(C)NCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H36N2/c1-7-19(6)13-14(2)18-12-15-8-10-16(11-9-15)17(3,4)5/h14-16,18H,7-13H2,1-6H3
InChIKeyQTNCZWCKDIYAKL-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.77
Rot. Bonds6

About 2-N-[(4-tert-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine

2-N-[(4-tert-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine (PubChem CID 103109582) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 2-N-[(4-tert-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(4-tert-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine
PubChem CID103109582
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name2-N-[(4-tert-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine
SMILESCCN(C)CC(C)NCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H36N2/c1-7-19(6)13-14(2)18-12-15-8-10-16(11-9-15)17(3,4)5/h14-16,18H,7-13H2,1-6H3
InChIKeyQTNCZWCKDIYAKL-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(cyclohexylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103109993
2-N-[(4-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103109683
2-[(4-tert-butylcyclohexyl)methylamino]-N-ethyl-N-methylpropanamide
CID 103107695
N-[(4-tert-butylcyclohexyl)methyl]-3-ethylpentan-2-amine
CID 104575103
2-N-(cyclopropylmethyl)-1-N-ethyl-1-N-methylbutane-1,2-diamine
CID 167503112
2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 106892891
(1S)-N-[(4-tert-butylcyclohexyl)methyl]-1-cyclopentylethanamine
CID 104575229
(2S)-2-[(4-tert-butylcyclohexyl)methylamino]-3-methylbutan-1-ol
CID 114983139
(1R)-N-[(4-tert-butylcyclohexyl)methyl]-1-cycloheptylethanamine
CID 104575232
1-N-[(4-tert-butylcyclohexyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 104574795
1-N-ethyl-1-N-methyl-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine
CID 103110064
N-[(4-tert-butylcyclohexyl)methyl]pent-1-yn-3-amine
CID 114160546

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-tert-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-[(4-tert-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine (CID 103109582) is 2-N-[(4-tert-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(4-tert-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(4-tert-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine is CCN(C)CC(C)NCC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 2-N-[(4-tert-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine?
The InChIKey is QTNCZWCKDIYAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-7-19(6)13-14(2)18-12-15-8-10-16(11-9-15)17(3,4)5/h14-16,18H,7-13H2,1-6H3.
What are the key properties of 2-N-[(4-tert-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine?
2-N-[(4-tert-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine has a molecular weight of 268.49 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-tert-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 103109582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).