N-tert-butyl-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine

C14H30N2 — CID 61437708

IUPACN-tert-butyl-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine
SMILESCC1CCC(N(C)CCNC(C)(C)C)CC1
InChIInChI=1S/C14H30N2/c1-12-6-8-13(9-7-12)16(5)11-10-15-14(2,3)4/h12-13,15H,6-11H2,1-5H3
InChIKeyFRRIUQRLQJWENT-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds4

About N-tert-butyl-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine

N-tert-butyl-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine (PubChem CID 61437708) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-tert-butyl-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine
PubChem CID61437708
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-tert-butyl-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine
SMILESCC1CCC(N(C)CCNC(C)(C)C)CC1
InChIInChI=1S/C14H30N2/c1-12-6-8-13(9-7-12)16(5)11-10-15-14(2,3)4/h12-13,15H,6-11H2,1-5H3
InChIKeyFRRIUQRLQJWENT-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-N'-cycloheptyl-N'-methylethane-1,2-diamine
CID 61387284
N-tert-butyl-N'-cyclopropyl-N'-methylpentane-1,5-diamine
CID 62418711
N-tert-butyl-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 61386704
N-tert-butyl-N'-cycloheptyl-N'-methylbutane-1,4-diamine
CID 62433849
N'-methyl-N'-(4-methylcyclohexyl)-N-prop-2-enylethane-1,2-diamine
CID 62556852
N-tert-butyl-2,2-diethyl-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 63494862
2-methyl-6-[methyl-(4-methylcyclohexyl)amino]-2-(propylamino)hexan-1-ol
CID 64827792
3-(tert-butylamino)-N-[2-[cyclopentyl(methyl)amino]ethyl]propanamide
CID 63315852
N,N'-dimethyl-N'-(3-methylcyclopentyl)ethane-1,2-diamine
CID 64514284
1-N,4,4-trimethyl-1-N-(4-methylcyclohexyl)pentane-1,3-diamine
CID 62623904
N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 55088812
N'-cyclopropyl-N'-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 62980112

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of N-tert-butyl-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine (CID 61437708) is N-tert-butyl-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for N-tert-butyl-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for N-tert-butyl-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine is CC1CCC(N(C)CCNC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine?
The InChIKey is FRRIUQRLQJWENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-12-6-8-13(9-7-12)16(5)11-10-15-14(2,3)4/h12-13,15H,6-11H2,1-5H3.
What are the key properties of N-tert-butyl-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine?
N-tert-butyl-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 61437708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).