1-N-ethyl-2-N-methyl-4-propan-2-yl-2-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,2-diamine

C18H37N3 — CID 63206785

IUPAC1-N-ethyl-2-N-methyl-4-propan-2-yl-2-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,2-diamine
SMILESCCNC1CCC(C(C)C)CC1N(C)CCN1CCCC1
InChIInChI=1S/C18H37N3/c1-5-19-17-9-8-16(15(2)3)14-18(17)20(4)12-13-21-10-6-7-11-21/h15-19H,5-14H2,1-4H3
InChIKeyKPNSCTRJINVCCO-UHFFFAOYSA-N
MW295.52 g/mol
LogP2.82
Rot. Bonds7

About 1-N-ethyl-2-N-methyl-4-propan-2-yl-2-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,2-diamine

1-N-ethyl-2-N-methyl-4-propan-2-yl-2-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,2-diamine (PubChem CID 63206785) has the molecular formula C18H37N3 and a molecular weight of 295.52 g/mol. Its IUPAC name is 1-N-ethyl-2-N-methyl-4-propan-2-yl-2-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-N-methyl-4-propan-2-yl-2-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,2-diamine
PubChem CID63206785
Molecular FormulaC18H37N3
Molecular Weight295.52 g/mol
Exact Mass295.30
IUPAC Name1-N-ethyl-2-N-methyl-4-propan-2-yl-2-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,2-diamine
SMILESCCNC1CCC(C(C)C)CC1N(C)CCN1CCCC1
InChIInChI=1S/C18H37N3/c1-5-19-17-9-8-16(15(2)3)14-18(17)20(4)12-13-21-10-6-7-11-21/h15-19H,5-14H2,1-4H3
InChIKeyKPNSCTRJINVCCO-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.52
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-propan-2-ylcyclohexane-1,2-diamine
CID 63275821
2-N-methyl-1-N-propyl-2-N-(2-pyrrolidin-1-ylethyl)cyclooctane-1,2-diamine
CID 63207322
1-N,2-N-dimethyl-4-propyl-2-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,2-diamine
CID 63206871
2-N-(cyclopropylmethyl)-1-N-ethyl-2-N,4-di(propan-2-yl)cyclohexane-1,2-diamine
CID 63468159
N-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62708674
1-N,2-N-dimethyl-1-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1,2-diamine
CID 63207186
2-N-[3-(dimethylamino)propyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 63694683
2-N-cyclopentyl-2-N-methyl-4-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
CID 63466974
2-[[cyclobutylmethyl(methyl)amino]methyl]-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 63494522
2-N-(1-cyclopropylethyl)-2-N-methyl-4-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
CID 63470088
1-N-ethyl-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1H-indene-1,2-diamine
CID 63206524
N-ethyl-2-methylsulfanyl-4-propan-2-ylcyclohexan-1-amine
CID 64627479

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N-methyl-4-propan-2-yl-2-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,2-diamine?
The IUPAC name of 1-N-ethyl-2-N-methyl-4-propan-2-yl-2-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,2-diamine (CID 63206785) is 1-N-ethyl-2-N-methyl-4-propan-2-yl-2-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-2-N-methyl-4-propan-2-yl-2-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-2-N-methyl-4-propan-2-yl-2-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,2-diamine is CCNC1CCC(C(C)C)CC1N(C)CCN1CCCC1.
What is the InChIKey of 1-N-ethyl-2-N-methyl-4-propan-2-yl-2-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,2-diamine?
The InChIKey is KPNSCTRJINVCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-5-19-17-9-8-16(15(2)3)14-18(17)20(4)12-13-21-10-6-7-11-21/h15-19H,5-14H2,1-4H3.
What are the key properties of 1-N-ethyl-2-N-methyl-4-propan-2-yl-2-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,2-diamine?
1-N-ethyl-2-N-methyl-4-propan-2-yl-2-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,2-diamine has a molecular weight of 295.52 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-N-methyl-4-propan-2-yl-2-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 63206785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).