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

C17H36N2 — CID 104574795

IUPAC1-N-[(4-tert-butylcyclohexyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)CNCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H36N2/c1-16(2,3)15-10-8-14(9-11-15)12-18-13-17(4,5)19(6)7/h14-15,18H,8-13H2,1-7H3
InChIKeyKFWASROYMRNXPB-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.77
Rot. Bonds5

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

1-N-[(4-tert-butylcyclohexyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 104574795) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-N-[(4-tert-butylcyclohexyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(4-tert-butylcyclohexyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID104574795
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-N-[(4-tert-butylcyclohexyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)CNCC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H36N2/c1-16(2,3)15-10-8-14(9-11-15)12-18-13-17(4,5)19(6)7/h14-15,18H,8-13H2,1-7H3
InChIKeyKFWASROYMRNXPB-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

Analyze 1-N-[(4-tert-butylcyclohexyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-N-[(4-tert-butylcyclohexyl)methyl]-1-N-[(2R)-1-(methylamino)propan-2-yl]hexane-1,2-diamine
CID 24792593
(4-tert-butylcyclohexyl)methyl-[(1S)-1-[[[(1R,2R)-2-methyl-1-(methylaminomethyl)butyl]amino]methyl]butyl]amine
CID 24792601
3-(2,2-dimethylpropyl)-3-ethyl-1-N-(4-fluoro-3-methylcyclohexyl)-1-N-hexyl-2-N,5,5-trimethylhexane-1,2-diamine
CID 134286891
(3S)-N-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperidin-3-amine
CID 176841621
(3R)-N-tert-butyl-1-[(4-tert-butyl-3-fluorocyclohexyl)methyl]piperidin-3-amine
CID 176842019
trans-(2S,5R)-5-methyl-2-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)cyclohexan-1-amine
CID 134926424
2,4,4-trimethyl-N-[[4-[(2,4,4-trimethylpentan-2-ylamino)methyl]cyclohexyl]methyl]pentan-2-amine
CID 102038
1-(aminomethyl)-4-tert-butyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 65378021
1-(aminomethyl)-4-(2-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 65378431
1-(aminomethyl)-N-(2,2-difluoroethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 113303701
1-(aminomethyl)-4-tert-butyl-N-(2,2-difluoroethyl)cyclohexan-1-amine
CID 115406405
N'-ethyl-N'-[4-[4-fluoro-1-(2,4,4-trimethylpentan-2-yl)piperidin-4-yl]-2,4-dimethylpentan-2-yl]-N-methylethane-1,2-diamine
CID 142367511

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-tert-butylcyclohexyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[(4-tert-butylcyclohexyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 104574795) is 1-N-[(4-tert-butylcyclohexyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[(4-tert-butylcyclohexyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[(4-tert-butylcyclohexyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine is CN(C)C(C)(C)CNCC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-N-[(4-tert-butylcyclohexyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is KFWASROYMRNXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-16(2,3)15-10-8-14(9-11-15)12-18-13-17(4,5)19(6)7/h14-15,18H,8-13H2,1-7H3.
What are the key properties of 1-N-[(4-tert-butylcyclohexyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-N-[(4-tert-butylcyclohexyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 268.49 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-tert-butylcyclohexyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 104574795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).