1-N-methyl-3-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,3-diamine

C16H33N3 — CID 79618510

IUPAC1-N-methyl-3-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,3-diamine
SMILESCCCNC1CCCC(N(C)CCN2CCCC2)C1
InChIInChI=1S/C16H33N3/c1-3-9-17-15-7-6-8-16(14-15)18(2)12-13-19-10-4-5-11-19/h15-17H,3-14H2,1-2H3
InChIKeyAIAIHUODRZOQNV-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.32
Rot. Bonds7

About 1-N-methyl-3-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,3-diamine

1-N-methyl-3-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,3-diamine (PubChem CID 79618510) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-N-methyl-3-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-methyl-3-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,3-diamine
PubChem CID79618510
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name1-N-methyl-3-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,3-diamine
SMILESCCCNC1CCCC(N(C)CCN2CCCC2)C1
InChIInChI=1S/C16H33N3/c1-3-9-17-15-7-6-8-16(14-15)18(2)12-13-19-10-4-5-11-19/h15-17H,3-14H2,1-2H3
InChIKeyAIAIHUODRZOQNV-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-3-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,3-diamine?
The IUPAC name of 1-N-methyl-3-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,3-diamine (CID 79618510) is 1-N-methyl-3-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-methyl-3-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-methyl-3-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,3-diamine is CCCNC1CCCC(N(C)CCN2CCCC2)C1.
What is the InChIKey of 1-N-methyl-3-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,3-diamine?
The InChIKey is AIAIHUODRZOQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-3-9-17-15-7-6-8-16(14-15)18(2)12-13-19-10-4-5-11-19/h15-17H,3-14H2,1-2H3.
What are the key properties of 1-N-methyl-3-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,3-diamine?
1-N-methyl-3-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,3-diamine has a molecular weight of 267.46 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-3-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,3-diamine is sourced from PubChem (CID 79618510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).