N'-(cyclohexylmethyl)-N,N-diethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine

C21H36N2 — CID 70827164

IUPACN'-(cyclohexylmethyl)-N,N-diethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
SMILESCCN(CC)CCN(Cc1cccc(C)c1)CC1CCCCC1
InChIInChI=1S/C21H36N2/c1-4-22(5-2)14-15-23(17-20-11-7-6-8-12-20)18-21-13-9-10-19(3)16-21/h9-10,13,16,20H,4-8,11-12,14-15,17-18H2,1-3H3
InChIKeyNBARHRPDHRSHFB-UHFFFAOYSA-N
MW316.53 g/mol
LogP4.72
Rot. Bonds9

About N'-(cyclohexylmethyl)-N,N-diethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine

N'-(cyclohexylmethyl)-N,N-diethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine (PubChem CID 70827164) has the molecular formula C21H36N2 and a molecular weight of 316.53 g/mol. Its IUPAC name is N'-(cyclohexylmethyl)-N,N-diethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclohexylmethyl)-N,N-diethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
PubChem CID70827164
Molecular FormulaC21H36N2
Molecular Weight316.53 g/mol
Exact Mass316.29
IUPAC NameN'-(cyclohexylmethyl)-N,N-diethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
SMILESCCN(CC)CCN(Cc1cccc(C)c1)CC1CCCCC1
InChIInChI=1S/C21H36N2/c1-4-22(5-2)14-15-23(17-20-11-7-6-8-12-20)18-21-13-9-10-19(3)16-21/h9-10,13,16,20H,4-8,11-12,14-15,17-18H2,1-3H3
InChIKeyNBARHRPDHRSHFB-UHFFFAOYSA-N
XLogP4.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.53
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(cyclohexylmethyl)-N,N,N'-triethylethane-1,2-diamine
CID 2058149
[4-[[bis[(3-methylphenyl)methyl]amino]methyl]cyclohexyl]methanamine;propanoic acid
CID 142934541
4-[[cyclohexylmethyl(ethyl)amino]methyl]aniline
CID 43383869
3-[3-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76996477
N-[[3-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]ethanamine
CID 63939316
trans-(1R,2R)-1-N,1-N,2-N-tribenzyl-2-N-[(3-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 102466161
N-(2-chloroethyl)-N-[(3-methylphenyl)methyl]butan-1-amine
CID 63389178
2-cyclopentyl-N-[(3-methylphenyl)methyl]-N-phenylacetamide
CID 91043678
[4-[[(3-chlorophenyl)methyl-(cyclohexylmethyl)amino]methyl]cyclohexyl]methanamine
CID 142934612
N-[(3-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715386
N-decyl-N-[(3-methylphenyl)methyl]decan-1-amine
CID 6426056
N-[(3-bromophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 103815711

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexylmethyl)-N,N-diethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-(cyclohexylmethyl)-N,N-diethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine (CID 70827164) is N'-(cyclohexylmethyl)-N,N-diethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(cyclohexylmethyl)-N,N-diethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-(cyclohexylmethyl)-N,N-diethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine is CCN(CC)CCN(Cc1cccc(C)c1)CC1CCCCC1.
What is the InChIKey of N'-(cyclohexylmethyl)-N,N-diethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is NBARHRPDHRSHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2/c1-4-22(5-2)14-15-23(17-20-11-7-6-8-12-20)18-21-13-9-10-19(3)16-21/h9-10,13,16,20H,4-8,11-12,14-15,17-18H2,1-3H3.
What are the key properties of N'-(cyclohexylmethyl)-N,N-diethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine?
N'-(cyclohexylmethyl)-N,N-diethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 316.53 g/mol, XLogP of 4.72, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexylmethyl)-N,N-diethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 70827164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).