2-N-[(4-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine

C17H36N2 — CID 103109683

IUPAC2-N-[(4-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine
SMILESCCCCC1CCC(CNC(C)CN(C)CC)CC1
InChIInChI=1S/C17H36N2/c1-5-7-8-16-9-11-17(12-10-16)13-18-15(3)14-19(4)6-2/h15-18H,5-14H2,1-4H3
InChIKeyMPEPISVOEBADHD-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.91
Rot. Bonds9

About 2-N-[(4-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine

2-N-[(4-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine (PubChem CID 103109683) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 2-N-[(4-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(4-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine
PubChem CID103109683
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name2-N-[(4-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine
SMILESCCCCC1CCC(CNC(C)CN(C)CC)CC1
InChIInChI=1S/C17H36N2/c1-5-7-8-16-9-11-17(12-10-16)13-18-15(3)14-19(4)6-2/h15-18H,5-14H2,1-4H3
InChIKeyMPEPISVOEBADHD-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[(4-tert-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103109582
2-N-(cyclohexylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103109993
2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 106892891
N-[(4-butylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 63505259
(2R)-2-[(4-propylcyclohexyl)methylamino]propan-1-ol
CID 103896927
1-(4-butylcyclohexyl)-N-methylmethanamine
CID 43163686
1-N-ethyl-1-N-methyl-2-N-[(2-methyloxolan-3-yl)methyl]propane-1,2-diamine
CID 103110064
N-[(4-butylcyclohexyl)methyl]ethanamine
CID 43163710
2-N-(3-ethoxypropyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103109645
N-[(4-methylcyclohexyl)methyl]nonan-2-amine
CID 63464065
2-N-(4-ethoxybutyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103109664
1-N-ethyl-1-N-methyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,2-diamine
CID 103208202

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-[(4-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine (CID 103109683) is 2-N-[(4-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(4-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(4-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine is CCCCC1CCC(CNC(C)CN(C)CC)CC1.
What is the InChIKey of 2-N-[(4-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine?
The InChIKey is MPEPISVOEBADHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-5-7-8-16-9-11-17(12-10-16)13-18-15(3)14-19(4)6-2/h15-18H,5-14H2,1-4H3.
What are the key properties of 2-N-[(4-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine?
2-N-[(4-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine has a molecular weight of 268.49 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-butylcyclohexyl)methyl]-1-N-ethyl-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 103109683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).