N,N,N'-trimethyl-N'-[2-[(3-methylcyclohexyl)amino]ethyl]propane-1,3-diamine

C15H33N3 — CID 63726355

IUPACN,N,N'-trimethyl-N'-[2-[(3-methylcyclohexyl)amino]ethyl]propane-1,3-diamine
SMILESCC1CCCC(NCCN(C)CCCN(C)C)C1
InChIInChI=1S/C15H33N3/c1-14-7-5-8-15(13-14)16-9-12-18(4)11-6-10-17(2)3/h14-16H,5-13H2,1-4H3
InChIKeyBGBLJERJMSJMSD-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.04
Rot. Bonds8

About N,N,N'-trimethyl-N'-[2-[(3-methylcyclohexyl)amino]ethyl]propane-1,3-diamine

N,N,N'-trimethyl-N'-[2-[(3-methylcyclohexyl)amino]ethyl]propane-1,3-diamine (PubChem CID 63726355) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[2-[(3-methylcyclohexyl)amino]ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[2-[(3-methylcyclohexyl)amino]ethyl]propane-1,3-diamine
PubChem CID63726355
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC NameN,N,N'-trimethyl-N'-[2-[(3-methylcyclohexyl)amino]ethyl]propane-1,3-diamine
SMILESCC1CCCC(NCCN(C)CCCN(C)C)C1
InChIInChI=1S/C15H33N3/c1-14-7-5-8-15(13-14)16-9-12-18(4)11-6-10-17(2)3/h14-16H,5-13H2,1-4H3
InChIKeyBGBLJERJMSJMSD-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-N'-[3-(dimethylamino)propyl]-N'-methylpropane-1,3-diamine
CID 63726529
N'-cyclopentyl-N'-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 62576013
N'-methyl-N-(3-methylcyclohexyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62560432
N'-[(4-bromophenyl)methyl]-N'-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 63502762
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
N'-(3-methylcyclohexyl)propane-1,3-diamine
CID 60889312
N'-methyl-N-(3-methylcyclohexyl)-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62556838
N'-methyl-N-(3-methylcyclohexyl)-N'-(thiolan-3-yl)ethane-1,2-diamine
CID 62561683
N-(2-cyclobutylethyl)-3-methylcyclohexan-1-amine
CID 115690272
N-cyclopropyl-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine
CID 61447072
N-cyclohexyl-N'-methyl-N'-pentylethane-1,2-diamine
CID 62574766
N'-(4-fluorophenyl)-N'-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 62554580

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[2-[(3-methylcyclohexyl)amino]ethyl]propane-1,3-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[2-[(3-methylcyclohexyl)amino]ethyl]propane-1,3-diamine (CID 63726355) is N,N,N'-trimethyl-N'-[2-[(3-methylcyclohexyl)amino]ethyl]propane-1,3-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[2-[(3-methylcyclohexyl)amino]ethyl]propane-1,3-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[2-[(3-methylcyclohexyl)amino]ethyl]propane-1,3-diamine is CC1CCCC(NCCN(C)CCCN(C)C)C1.
What is the InChIKey of N,N,N'-trimethyl-N'-[2-[(3-methylcyclohexyl)amino]ethyl]propane-1,3-diamine?
The InChIKey is BGBLJERJMSJMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-14-7-5-8-15(13-14)16-9-12-18(4)11-6-10-17(2)3/h14-16H,5-13H2,1-4H3.
What are the key properties of N,N,N'-trimethyl-N'-[2-[(3-methylcyclohexyl)amino]ethyl]propane-1,3-diamine?
N,N,N'-trimethyl-N'-[2-[(3-methylcyclohexyl)amino]ethyl]propane-1,3-diamine has a molecular weight of 255.45 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[2-[(3-methylcyclohexyl)amino]ethyl]propane-1,3-diamine is sourced from PubChem (CID 63726355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).