N'-(cyclobutylmethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine

C16H32N2 — CID 107402187

IUPACN'-(cyclobutylmethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
SMILESCCN(CCNC1CCC(C)CC1)CC1CCC1
InChIInChI=1S/C16H32N2/c1-3-18(13-15-5-4-6-15)12-11-17-16-9-7-14(2)8-10-16/h14-17H,3-13H2,1-2H3
InChIKeyALYQLHQKLXBBBX-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds7

About N'-(cyclobutylmethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine

N'-(cyclobutylmethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine (PubChem CID 107402187) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N'-(cyclobutylmethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclobutylmethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
PubChem CID107402187
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN'-(cyclobutylmethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
SMILESCCN(CCNC1CCC(C)CC1)CC1CCC1
InChIInChI=1S/C16H32N2/c1-3-18(13-15-5-4-6-15)12-11-17-16-9-7-14(2)8-10-16/h14-17H,3-13H2,1-2H3
InChIKeyALYQLHQKLXBBBX-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(cyclopropylmethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 63938742
N'-(cyclobutylmethyl)-N-cyclohexyl-N'-ethylethane-1,2-diamine
CID 107402209
N'-ethyl-N-(4-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 55090223
N'-(cyclohexylmethyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 63501893
N'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 63691083
N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethylethane-1,2-diamine
CID 107398077
N'-methyl-N-(4-methylcyclohexyl)-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62561053
N-[2-[4-[[cyclobutylmethyl(ethyl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 107402138
N',N'-bis(2-ethoxyethyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 82943267
N',N'-diethyl-N-(4-propylcycloheptyl)propane-1,3-diamine
CID 65087423
N-(4-chlorocyclohexyl)-N',N'-diethylethane-1,2-diamine
CID 107913675
N'-butyl-N-cycloheptyl-N'-ethylethane-1,2-diamine
CID 62575467

Frequently Asked Questions

What is the IUPAC name of N'-(cyclobutylmethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of N'-(cyclobutylmethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine (CID 107402187) is N'-(cyclobutylmethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(cyclobutylmethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for N'-(cyclobutylmethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine is CCN(CCNC1CCC(C)CC1)CC1CCC1.
What is the InChIKey of N'-(cyclobutylmethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine?
The InChIKey is ALYQLHQKLXBBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-18(13-15-5-4-6-15)12-11-17-16-9-7-14(2)8-10-16/h14-17H,3-13H2,1-2H3.
What are the key properties of N'-(cyclobutylmethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine?
N'-(cyclobutylmethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine has a molecular weight of 252.45 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclobutylmethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 107402187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).