N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine

C11H24N2 — CID 60887199

IUPACN'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine
SMILESCC1CC(NCCN)CC(C)(C)C1
InChIInChI=1S/C11H24N2/c1-9-6-10(13-5-4-12)8-11(2,3)7-9/h9-10,13H,4-8,12H2,1-3H3
InChIKeyRYVNTQILYKWKEE-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.75
Rot. Bonds3

About N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine

N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine (PubChem CID 60887199) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine
PubChem CID60887199
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine
SMILESCC1CC(NCCN)CC(C)(C)C1
InChIInChI=1S/C11H24N2/c1-9-6-10(13-5-4-12)8-11(2,3)7-9/h9-10,13H,4-8,12H2,1-3H3
InChIKeyRYVNTQILYKWKEE-UHFFFAOYSA-N
XLogP1.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,3,5-trimethylcyclohexan-1-amine
CID 113357739
trans-(1S,5R)-N-(3-ethoxypropyl)-3,3,5-trimethylcyclohexan-1-amine
CID 8024888
4-[(3,3,5-trimethylcyclohexyl)amino]butane-1-sulfonic acid
CID 146217764
N-[3-(cyclopropylmethoxy)propyl]-3,3,5-trimethylcyclohexan-1-amine
CID 43081894
(2S)-1-[(3,3,5-trimethylcyclohexyl)amino]propan-2-ol
CID 103884021
3,3,5-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine
CID 63829195
4,4-dimethyl-1-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65115104
4-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 114146901
N-(3,3,5-trimethylcyclohexyl)cycloheptanamine
CID 43081420
N-cyclohexyl-3,3,5-trimethylcyclohexan-1-amine
CID 43080538
1-cyclohexyl-2-(3,3,5-trimethylcyclohexyl)hydrazine
CID 70127038
3,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 112730162

Frequently Asked Questions

What is the IUPAC name of N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine (CID 60887199) is N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine is CC1CC(NCCN)CC(C)(C)C1.
What is the InChIKey of N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine?
The InChIKey is RYVNTQILYKWKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-9-6-10(13-5-4-12)8-11(2,3)7-9/h9-10,13H,4-8,12H2,1-3H3.
What are the key properties of N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine?
N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 60887199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).