N'-(2,2-dimethylcyclohexyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine

C16H34N2 — CID 79847083

IUPACN'-(2,2-dimethylcyclohexyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CC(C)(C)CN)C1CCCCC1(C)C
InChIInChI=1S/C16H34N2/c1-6-11-18(13-15(2,3)12-17)14-9-7-8-10-16(14,4)5/h14H,6-13,17H2,1-5H3
InChIKeyMJDSUILMALCYSJ-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.65
Rot. Bonds6

About N'-(2,2-dimethylcyclohexyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine

N'-(2,2-dimethylcyclohexyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine (PubChem CID 79847083) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N'-(2,2-dimethylcyclohexyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2,2-dimethylcyclohexyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
PubChem CID79847083
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN'-(2,2-dimethylcyclohexyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CC(C)(C)CN)C1CCCCC1(C)C
InChIInChI=1S/C16H34N2/c1-6-11-18(13-15(2,3)12-17)14-9-7-8-10-16(14,4)5/h14H,6-13,17H2,1-5H3
InChIKeyMJDSUILMALCYSJ-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclobutyl-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79668549
N'-(1,1-dioxothian-4-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79660148
2,2-dimethyl-N'-(5-oxaspiro[3.5]nonan-8-yl)-N'-propylpropane-1,3-diamine
CID 79898830
N,N-diethyl-2,2-dimethylcyclopentan-1-amine
CID 126990162
N'-(4,4-dimethylcycloheptyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79660402
N'-cyclopropyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 62264209
N-(3-amino-2,2-dimethylpropyl)-N-propylcyclohexanecarboxamide
CID 79668335
N-(3-amino-2,2-dimethylpropyl)-3-cyclohexyl-N-propylpropanamide
CID 79667842
2-[carboxymethyl-(2,2-dimethylcyclohexyl)amino]acetic acid
CID 79852520
1-N-ethyl-3,3-dimethyl-1-N-propylcyclohexane-1,2-diamine
CID 79828501
2,2-dimethyl-N'-propyl-N'-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propane-1,3-diamine
CID 115466816
[(1S)-2,2-dimethylcyclohexyl]methanamine
CID 90019536

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-dimethylcyclohexyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-(2,2-dimethylcyclohexyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine (CID 79847083) is N'-(2,2-dimethylcyclohexyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-(2,2-dimethylcyclohexyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-(2,2-dimethylcyclohexyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine is CCCN(CC(C)(C)CN)C1CCCCC1(C)C.
What is the InChIKey of N'-(2,2-dimethylcyclohexyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The InChIKey is MJDSUILMALCYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-11-18(13-15(2,3)12-17)14-9-7-8-10-16(14,4)5/h14H,6-13,17H2,1-5H3.
What are the key properties of N'-(2,2-dimethylcyclohexyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine?
N'-(2,2-dimethylcyclohexyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dimethylcyclohexyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 79847083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).