(2R)-2-N-[(2R)-2-[2-(2-bicyclo[2.2.1]heptanyl)ethylamino]pentyl]-1-N-methylpentane-1,2-diamine

C20H41N3 — CID 45482189

IUPAC(2R)-2-N-[(2R)-2-[2-(2-bicyclo[2.2.1]heptanyl)ethylamino]pentyl]-1-N-methylpentane-1,2-diamine
SMILESCCC[C@H](CNC)NC[C@@H](CCC)NCCC1CC2CCC1C2
InChIInChI=1S/C20H41N3/c1-4-6-19(14-21-3)23-15-20(7-5-2)22-11-10-18-13-16-8-9-17(18)12-16/h16-23H,4-15H2,1-3H3/t16?,17?,18?,19-,20-/m1/s1
InChIKeyCMBPMYHWNWHXNI-YPKSLRHJSA-N
MW323.57 g/mol
LogP3.55
Rot. Bonds13

About (2R)-2-N-[(2R)-2-[2-(2-bicyclo[2.2.1]heptanyl)ethylamino]pentyl]-1-N-methylpentane-1,2-diamine

(2R)-2-N-[(2R)-2-[2-(2-bicyclo[2.2.1]heptanyl)ethylamino]pentyl]-1-N-methylpentane-1,2-diamine (PubChem CID 45482189) has the molecular formula C20H41N3 and a molecular weight of 323.57 g/mol. Its IUPAC name is (2R)-2-N-[(2R)-2-[2-(2-bicyclo[2.2.1]heptanyl)ethylamino]pentyl]-1-N-methylpentane-1,2-diamine.

Molecular Properties

Compound Name(2R)-2-N-[(2R)-2-[2-(2-bicyclo[2.2.1]heptanyl)ethylamino]pentyl]-1-N-methylpentane-1,2-diamine
PubChem CID45482189
Molecular FormulaC20H41N3
Molecular Weight323.57 g/mol
Exact Mass323.33
IUPAC Name(2R)-2-N-[(2R)-2-[2-(2-bicyclo[2.2.1]heptanyl)ethylamino]pentyl]-1-N-methylpentane-1,2-diamine
SMILESCCC[C@H](CNC)NC[C@@H](CCC)NCCC1CC2CCC1C2
InChIInChI=1S/C20H41N3/c1-4-6-19(14-21-3)23-15-20(7-5-2)22-11-10-18-13-16-8-9-17(18)12-16/h16-23H,4-15H2,1-3H3/t16?,17?,18?,19-,20-/m1/s1
InChIKeyCMBPMYHWNWHXNI-YPKSLRHJSA-N
XLogP3.55
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.57
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-N-[(2R)-2-[2-(2-bicyclo[2.2.1]heptanyl)ethylamino]pentyl]-1-N-methylpentane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-[(2R)-2-[2-(2-bicyclo[2.2.1]heptanyl)ethylamino]pentyl]-1-N-methylpentane-1,2-diamine?
The IUPAC name of (2R)-2-N-[(2R)-2-[2-(2-bicyclo[2.2.1]heptanyl)ethylamino]pentyl]-1-N-methylpentane-1,2-diamine (CID 45482189) is (2R)-2-N-[(2R)-2-[2-(2-bicyclo[2.2.1]heptanyl)ethylamino]pentyl]-1-N-methylpentane-1,2-diamine.
What is the SMILES notation for (2R)-2-N-[(2R)-2-[2-(2-bicyclo[2.2.1]heptanyl)ethylamino]pentyl]-1-N-methylpentane-1,2-diamine?
The canonical SMILES for (2R)-2-N-[(2R)-2-[2-(2-bicyclo[2.2.1]heptanyl)ethylamino]pentyl]-1-N-methylpentane-1,2-diamine is CCC[C@H](CNC)NC[C@@H](CCC)NCCC1CC2CCC1C2.
What is the InChIKey of (2R)-2-N-[(2R)-2-[2-(2-bicyclo[2.2.1]heptanyl)ethylamino]pentyl]-1-N-methylpentane-1,2-diamine?
The InChIKey is CMBPMYHWNWHXNI-YPKSLRHJSA-N. The full InChI is InChI=1S/C20H41N3/c1-4-6-19(14-21-3)23-15-20(7-5-2)22-11-10-18-13-16-8-9-17(18)12-16/h16-23H,4-15H2,1-3H3/t16?,17?,18?,19-,20-/m1/s1.
What are the key properties of (2R)-2-N-[(2R)-2-[2-(2-bicyclo[2.2.1]heptanyl)ethylamino]pentyl]-1-N-methylpentane-1,2-diamine?
(2R)-2-N-[(2R)-2-[2-(2-bicyclo[2.2.1]heptanyl)ethylamino]pentyl]-1-N-methylpentane-1,2-diamine has a molecular weight of 323.57 g/mol, XLogP of 3.55, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-[(2R)-2-[2-(2-bicyclo[2.2.1]heptanyl)ethylamino]pentyl]-1-N-methylpentane-1,2-diamine is sourced from PubChem (CID 45482189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).