N,N,N'-trimethyl-N'-[(1S,3R)-3-methylcyclohexyl]ethane-1,2-diamine

C12H26N2 — CID 7074573

IUPACN,N,N'-trimethyl-N'-[(1S,3R)-3-methylcyclohexyl]ethane-1,2-diamine
SMILESC[C@@H]1CCC[C@H](N(C)CCN(C)C)C1
InChIInChI=1S/C12H26N2/c1-11-6-5-7-12(10-11)14(4)9-8-13(2)3/h11-12H,5-10H2,1-4H3/t11-,12+/m1/s1
InChIKeyZAVFRUYUJHWKFT-NEPJUHHUSA-N
MW198.35 g/mol
LogP2.06
Rot. Bonds4

About N,N,N'-trimethyl-N'-[(1S,3R)-3-methylcyclohexyl]ethane-1,2-diamine

N,N,N'-trimethyl-N'-[(1S,3R)-3-methylcyclohexyl]ethane-1,2-diamine (PubChem CID 7074573) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[(1S,3R)-3-methylcyclohexyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[(1S,3R)-3-methylcyclohexyl]ethane-1,2-diamine
PubChem CID7074573
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN,N,N'-trimethyl-N'-[(1S,3R)-3-methylcyclohexyl]ethane-1,2-diamine
SMILESC[C@@H]1CCC[C@H](N(C)CCN(C)C)C1
InChIInChI=1S/C12H26N2/c1-11-6-5-7-12(10-11)14(4)9-8-13(2)3/h11-12H,5-10H2,1-4H3/t11-,12+/m1/s1
InChIKeyZAVFRUYUJHWKFT-NEPJUHHUSA-N
XLogP2.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N',N'-diethyl-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 2846615
3-[methyl-(3-methylcyclohexyl)amino]propan-1-ol
CID 60969986
3-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-ol
CID 79618999
(3S)-N-ethyl-N,3-dimethylcycloheptan-1-amine
CID 171506165
N-(9-bromononyl)-N,3-dimethylcyclohexan-1-amine
CID 105343672
N-cyclopropyl-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine
CID 61447072
N-[2-(diethylamino)ethyl]-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine
CID 62554542
N-(3,3-diethoxypropyl)-N,3-dimethylcyclohexan-1-amine
CID 63630283
cis-(1R,3S)-N,N,3-trimethylcyclohexan-1-amine
CID 142193437
trifluoro-[[methyl-(3-methylcyclohexyl)amino]methyl]boranuide
CID 63701764
N-ethyl-N'-methyl-N'-(3-methylcyclohexyl)pentane-1,5-diamine
CID 62429155
1-N-methyl-1-N-(3-methylcyclohexyl)hexane-1,4-diamine
CID 106799546

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[(1S,3R)-3-methylcyclohexyl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[(1S,3R)-3-methylcyclohexyl]ethane-1,2-diamine (CID 7074573) is N,N,N'-trimethyl-N'-[(1S,3R)-3-methylcyclohexyl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[(1S,3R)-3-methylcyclohexyl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[(1S,3R)-3-methylcyclohexyl]ethane-1,2-diamine is C[C@@H]1CCC[C@H](N(C)CCN(C)C)C1.
What is the InChIKey of N,N,N'-trimethyl-N'-[(1S,3R)-3-methylcyclohexyl]ethane-1,2-diamine?
The InChIKey is ZAVFRUYUJHWKFT-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H26N2/c1-11-6-5-7-12(10-11)14(4)9-8-13(2)3/h11-12H,5-10H2,1-4H3/t11-,12+/m1/s1.
What are the key properties of N,N,N'-trimethyl-N'-[(1S,3R)-3-methylcyclohexyl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[(1S,3R)-3-methylcyclohexyl]ethane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[(1S,3R)-3-methylcyclohexyl]ethane-1,2-diamine is sourced from PubChem (CID 7074573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).