1-cyclohexyl-N-ethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine

C17H35N3 — CID 104746206

IUPAC1-cyclohexyl-N-ethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
SMILESCCNC(CN(C)CCN1CCCC1)C1CCCCC1
InChIInChI=1S/C17H35N3/c1-3-18-17(16-9-5-4-6-10-16)15-19(2)13-14-20-11-7-8-12-20/h16-18H,3-15H2,1-2H3
InChIKeyRGDUSCSFZWFBDQ-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.57
Rot. Bonds8

About 1-cyclohexyl-N-ethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine

1-cyclohexyl-N-ethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine (PubChem CID 104746206) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
PubChem CID104746206
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name1-cyclohexyl-N-ethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
SMILESCCNC(CN(C)CCN1CCCC1)C1CCCCC1
InChIInChI=1S/C17H35N3/c1-3-18-17(16-9-5-4-6-10-16)15-19(2)13-14-20-11-7-8-12-20/h16-18H,3-15H2,1-2H3
InChIKeyRGDUSCSFZWFBDQ-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N,N'-diethyl-N'-methylethane-1,2-diamine
CID 104744599
1-cyclohexyl-N-ethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 104744433
1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-ethylethanamine
CID 104746000
1-cyclohexyl-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 113448229
1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N-ethyl-N'-methylethane-1,2-diamine
CID 104745574
1-[2-cyclohexyl-2-(ethylamino)ethyl]-N,N-dimethylpiperidin-3-amine
CID 104746634
1-cyclohexyl-N-ethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 104745255
N-cycloheptyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63208971
1-[2-cyclohexyl-2-(ethylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 104746151
1-[2-cyclopentyl-2-(ethylamino)ethyl]-N,N-dimethylpiperidin-4-amine
CID 104744906
1-cyclohexyl-N-ethyl-N'-propan-2-yl-N'-propylethane-1,2-diamine
CID 113448017
1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-N-ethylethanamine
CID 63854459

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N-ethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine (CID 104746206) is 1-cyclohexyl-N-ethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N-ethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine is CCNC(CN(C)CCN1CCCC1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-ethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
The InChIKey is RGDUSCSFZWFBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-3-18-17(16-9-5-4-6-10-16)15-19(2)13-14-20-11-7-8-12-20/h16-18H,3-15H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-ethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
1-cyclohexyl-N-ethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine has a molecular weight of 281.49 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 104746206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).