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

C16H33N3 — CID 63208971

IUPACN-cycloheptyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
SMILESCN(CCNC1CCCCCC1)CCN1CCCC1
InChIInChI=1S/C16H33N3/c1-18(14-15-19-11-6-7-12-19)13-10-17-16-8-4-2-3-5-9-16/h16-17H,2-15H2,1H3
InChIKeyJSEGMJZWGMZPPO-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.33
Rot. Bonds7

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

N-cycloheptyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine (PubChem CID 63208971) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N-cycloheptyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cycloheptyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
PubChem CID63208971
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN-cycloheptyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
SMILESCN(CCNC1CCCCCC1)CCN1CCCC1
InChIInChI=1S/C16H33N3/c1-18(14-15-19-11-6-7-12-19)13-10-17-16-8-4-2-3-5-9-16/h16-17H,2-15H2,1H3
InChIKeyJSEGMJZWGMZPPO-UHFFFAOYSA-N
XLogP2.33
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-N-(4-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63208755
N'-methyl-N-(2-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63208841
N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
CID 43181622
N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine;N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine
CID 159997450
N,N'-dimethyl-N'-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]ethane-1,2-diamine
CID 10105808
N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexanamine
CID 60701363
N,N'-dimethyl-N'-[2-[methyl-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 10266776
N'-(2-methoxyethyl)-N'-methyl-N-(1-propylazepan-4-yl)ethane-1,2-diamine
CID 65078580
N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]cyclooctanamine
CID 71383118
N-cyclohexyl-N'-methyl-N'-pentylethane-1,2-diamine
CID 62574766
N-[2-(azepan-1-yl)ethyl]cyclopropanamine
CID 54773126
N'-cyclohexyl-N-[2-(2-piperidin-1-ylethylamino)ethyl]propane-1,3-diamine
CID 143268114

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
The IUPAC name of N-cycloheptyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine (CID 63208971) is N-cycloheptyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N-cycloheptyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N-cycloheptyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine is CN(CCNC1CCCCCC1)CCN1CCCC1.
What is the InChIKey of N-cycloheptyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
The InChIKey is JSEGMJZWGMZPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-18(14-15-19-11-6-7-12-19)13-10-17-16-8-4-2-3-5-9-16/h16-17H,2-15H2,1H3.
What are the key properties of N-cycloheptyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
N-cycloheptyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine has a molecular weight of 267.46 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 63208971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).