2-N-(cyclopropylmethyl)-1-N-ethyl-2-N,4-di(propan-2-yl)cyclohexane-1,2-diamine

C18H36N2 — CID 63468159

IUPAC2-N-(cyclopropylmethyl)-1-N-ethyl-2-N,4-di(propan-2-yl)cyclohexane-1,2-diamine
SMILESCCNC1CCC(C(C)C)CC1N(CC1CC1)C(C)C
InChIInChI=1S/C18H36N2/c1-6-19-17-10-9-16(13(2)3)11-18(17)20(14(4)5)12-15-7-8-15/h13-19H,6-12H2,1-5H3
InChIKeyLAWQHSGUDRNMGU-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.91
Rot. Bonds7

About 2-N-(cyclopropylmethyl)-1-N-ethyl-2-N,4-di(propan-2-yl)cyclohexane-1,2-diamine

2-N-(cyclopropylmethyl)-1-N-ethyl-2-N,4-di(propan-2-yl)cyclohexane-1,2-diamine (PubChem CID 63468159) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-1-N-ethyl-2-N,4-di(propan-2-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-1-N-ethyl-2-N,4-di(propan-2-yl)cyclohexane-1,2-diamine
PubChem CID63468159
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2-N-(cyclopropylmethyl)-1-N-ethyl-2-N,4-di(propan-2-yl)cyclohexane-1,2-diamine
SMILESCCNC1CCC(C(C)C)CC1N(CC1CC1)C(C)C
InChIInChI=1S/C18H36N2/c1-6-19-17-10-9-16(13(2)3)11-18(17)20(14(4)5)12-15-7-8-15/h13-19H,6-12H2,1-5H3
InChIKeyLAWQHSGUDRNMGU-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 64522640
1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylcyclohexane-1,2-diamine
CID 63275821
2-[[cyclobutylmethyl(methyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 63494522
1-N-ethyl-2-N-methyl-4-propan-2-yl-2-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,2-diamine
CID 63206785
2-N-(cyclopropylmethyl)-2-N-propan-2-yl-1-N-propylcyclooctane-1,2-diamine
CID 63468526
N-ethyl-2-methylsulfanyl-4-propan-2-ylcyclohexan-1-amine
CID 64627479
2-N-(2-methoxyethyl)-1-N-methyl-2-N,4-di(propan-2-yl)cyclohexane-1,2-diamine
CID 82948997
N-ethyl-2-[[ethyl(propyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63483436
2-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 63484331
2-N-(1-cyclopropylethyl)-2-N-methyl-4-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
CID 63470088
4-ethyl-2-N-propan-2-yl-1-N,2-N-dipropylcyclohexane-1,2-diamine
CID 63464854
2-N-(cyclohexylmethyl)-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 63469233

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-1-N-ethyl-2-N,4-di(propan-2-yl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-1-N-ethyl-2-N,4-di(propan-2-yl)cyclohexane-1,2-diamine (CID 63468159) is 2-N-(cyclopropylmethyl)-1-N-ethyl-2-N,4-di(propan-2-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-1-N-ethyl-2-N,4-di(propan-2-yl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-1-N-ethyl-2-N,4-di(propan-2-yl)cyclohexane-1,2-diamine is CCNC1CCC(C(C)C)CC1N(CC1CC1)C(C)C.
What is the InChIKey of 2-N-(cyclopropylmethyl)-1-N-ethyl-2-N,4-di(propan-2-yl)cyclohexane-1,2-diamine?
The InChIKey is LAWQHSGUDRNMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-6-19-17-10-9-16(13(2)3)11-18(17)20(14(4)5)12-15-7-8-15/h13-19H,6-12H2,1-5H3.
What are the key properties of 2-N-(cyclopropylmethyl)-1-N-ethyl-2-N,4-di(propan-2-yl)cyclohexane-1,2-diamine?
2-N-(cyclopropylmethyl)-1-N-ethyl-2-N,4-di(propan-2-yl)cyclohexane-1,2-diamine has a molecular weight of 280.50 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-1-N-ethyl-2-N,4-di(propan-2-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 63468159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).