N,N,N'-triethyl-N'-[[2-(methylamino)cyclohexyl]methyl]propane-1,3-diamine

C17H37N3 — CID 102997195

IUPACN,N,N'-triethyl-N'-[[2-(methylamino)cyclohexyl]methyl]propane-1,3-diamine
SMILESCCN(CC)CCCN(CC)CC1CCCCC1NC
InChIInChI=1S/C17H37N3/c1-5-19(6-2)13-10-14-20(7-3)15-16-11-8-9-12-17(16)18-4/h16-18H,5-15H2,1-4H3
InChIKeyGZQHSKCAAZWFKZ-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.82
Rot. Bonds10

About N,N,N'-triethyl-N'-[[2-(methylamino)cyclohexyl]methyl]propane-1,3-diamine

N,N,N'-triethyl-N'-[[2-(methylamino)cyclohexyl]methyl]propane-1,3-diamine (PubChem CID 102997195) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is N,N,N'-triethyl-N'-[[2-(methylamino)cyclohexyl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-triethyl-N'-[[2-(methylamino)cyclohexyl]methyl]propane-1,3-diamine
PubChem CID102997195
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC NameN,N,N'-triethyl-N'-[[2-(methylamino)cyclohexyl]methyl]propane-1,3-diamine
SMILESCCN(CC)CCCN(CC)CC1CCCCC1NC
InChIInChI=1S/C17H37N3/c1-5-19(6-2)13-10-14-20(7-3)15-16-11-8-9-12-17(16)18-4/h16-18H,5-15H2,1-4H3
InChIKeyGZQHSKCAAZWFKZ-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[ethyl(2-methoxyethyl)amino]methyl]-N-methylcyclohexan-1-amine
CID 62616551
2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-methylcyclohexan-1-amine
CID 55226538
2-[[ethyl(2-methylpropyl)amino]methyl]-N-methylcycloheptan-1-amine
CID 62614308
2-[[butyl(ethyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 62616700
2-[[cyclopentyl(ethyl)amino]methyl]-N-methylcycloheptan-1-amine
CID 62615779
2-[[benzyl(ethyl)amino]methyl]-N-methylcyclopentan-1-amine
CID 62614486
2-[[butyl(ethyl)amino]methyl]cycloheptan-1-amine
CID 62615538
2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethylcycloheptan-1-amine
CID 63692668
2-[2,2-difluoroethyl-[[2-(methylamino)cycloheptyl]methyl]amino]ethanol
CID 107486535
N-methyl-N-[[2-(methylamino)cyclohexyl]methyl]cycloheptanamine
CID 62614949
3-[[2-(methylamino)cyclohexyl]methyl-propan-2-ylamino]propan-1-ol
CID 62614618
N-[[(1R,2R)-2-(diethylaminomethyl)cyclopentyl]methyl]-N-ethylethanamine
CID 10538046

Frequently Asked Questions

What is the IUPAC name of N,N,N'-triethyl-N'-[[2-(methylamino)cyclohexyl]methyl]propane-1,3-diamine?
The IUPAC name of N,N,N'-triethyl-N'-[[2-(methylamino)cyclohexyl]methyl]propane-1,3-diamine (CID 102997195) is N,N,N'-triethyl-N'-[[2-(methylamino)cyclohexyl]methyl]propane-1,3-diamine.
What is the SMILES notation for N,N,N'-triethyl-N'-[[2-(methylamino)cyclohexyl]methyl]propane-1,3-diamine?
The canonical SMILES for N,N,N'-triethyl-N'-[[2-(methylamino)cyclohexyl]methyl]propane-1,3-diamine is CCN(CC)CCCN(CC)CC1CCCCC1NC.
What is the InChIKey of N,N,N'-triethyl-N'-[[2-(methylamino)cyclohexyl]methyl]propane-1,3-diamine?
The InChIKey is GZQHSKCAAZWFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-5-19(6-2)13-10-14-20(7-3)15-16-11-8-9-12-17(16)18-4/h16-18H,5-15H2,1-4H3.
What are the key properties of N,N,N'-triethyl-N'-[[2-(methylamino)cyclohexyl]methyl]propane-1,3-diamine?
N,N,N'-triethyl-N'-[[2-(methylamino)cyclohexyl]methyl]propane-1,3-diamine has a molecular weight of 283.50 g/mol, XLogP of 2.82, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-triethyl-N'-[[2-(methylamino)cyclohexyl]methyl]propane-1,3-diamine is sourced from PubChem (CID 102997195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).