(2R)-1-N-methyl-2-N-[(2R)-2-[(4-methylcyclohexyl)methylamino]pentyl]pentane-1,2-diamine

C19H41N3 — CID 45482187

IUPAC(2R)-1-N-methyl-2-N-[(2R)-2-[(4-methylcyclohexyl)methylamino]pentyl]pentane-1,2-diamine
SMILESCCC[C@H](CNC)NC[C@@H](CCC)NCC1CCC(C)CC1
InChIInChI=1S/C19H41N3/c1-5-7-18(14-20-4)22-15-19(8-6-2)21-13-17-11-9-16(3)10-12-17/h16-22H,5-15H2,1-4H3/t16?,17?,18-,19-/m1/s1
InChIKeyMXWMCVCPOFWZJL-CSODTCANSA-N
MW311.56 g/mol
LogP3.55
Rot. Bonds12

About (2R)-1-N-methyl-2-N-[(2R)-2-[(4-methylcyclohexyl)methylamino]pentyl]pentane-1,2-diamine

(2R)-1-N-methyl-2-N-[(2R)-2-[(4-methylcyclohexyl)methylamino]pentyl]pentane-1,2-diamine (PubChem CID 45482187) has the molecular formula C19H41N3 and a molecular weight of 311.56 g/mol. Its IUPAC name is (2R)-1-N-methyl-2-N-[(2R)-2-[(4-methylcyclohexyl)methylamino]pentyl]pentane-1,2-diamine.

Molecular Properties

Compound Name(2R)-1-N-methyl-2-N-[(2R)-2-[(4-methylcyclohexyl)methylamino]pentyl]pentane-1,2-diamine
PubChem CID45482187
Molecular FormulaC19H41N3
Molecular Weight311.56 g/mol
Exact Mass311.33
IUPAC Name(2R)-1-N-methyl-2-N-[(2R)-2-[(4-methylcyclohexyl)methylamino]pentyl]pentane-1,2-diamine
SMILESCCC[C@H](CNC)NC[C@@H](CCC)NCC1CCC(C)CC1
InChIInChI=1S/C19H41N3/c1-5-7-18(14-20-4)22-15-19(8-6-2)21-13-17-11-9-16(3)10-12-17/h16-22H,5-15H2,1-4H3/t16?,17?,18-,19-/m1/s1
InChIKeyMXWMCVCPOFWZJL-CSODTCANSA-N
XLogP3.55
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.56
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-methyl-2-N-[(2R)-2-[(4-methylcyclohexyl)methylamino]pentyl]pentane-1,2-diamine?
The IUPAC name of (2R)-1-N-methyl-2-N-[(2R)-2-[(4-methylcyclohexyl)methylamino]pentyl]pentane-1,2-diamine (CID 45482187) is (2R)-1-N-methyl-2-N-[(2R)-2-[(4-methylcyclohexyl)methylamino]pentyl]pentane-1,2-diamine.
What is the SMILES notation for (2R)-1-N-methyl-2-N-[(2R)-2-[(4-methylcyclohexyl)methylamino]pentyl]pentane-1,2-diamine?
The canonical SMILES for (2R)-1-N-methyl-2-N-[(2R)-2-[(4-methylcyclohexyl)methylamino]pentyl]pentane-1,2-diamine is CCC[C@H](CNC)NC[C@@H](CCC)NCC1CCC(C)CC1.
What is the InChIKey of (2R)-1-N-methyl-2-N-[(2R)-2-[(4-methylcyclohexyl)methylamino]pentyl]pentane-1,2-diamine?
The InChIKey is MXWMCVCPOFWZJL-CSODTCANSA-N. The full InChI is InChI=1S/C19H41N3/c1-5-7-18(14-20-4)22-15-19(8-6-2)21-13-17-11-9-16(3)10-12-17/h16-22H,5-15H2,1-4H3/t16?,17?,18-,19-/m1/s1.
What are the key properties of (2R)-1-N-methyl-2-N-[(2R)-2-[(4-methylcyclohexyl)methylamino]pentyl]pentane-1,2-diamine?
(2R)-1-N-methyl-2-N-[(2R)-2-[(4-methylcyclohexyl)methylamino]pentyl]pentane-1,2-diamine has a molecular weight of 311.56 g/mol, XLogP of 3.55, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-methyl-2-N-[(2R)-2-[(4-methylcyclohexyl)methylamino]pentyl]pentane-1,2-diamine is sourced from PubChem (CID 45482187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).