(2R)-2-N-[(2R)-2-[2-(1-adamantyl)ethylamino]pentyl]-1-N-methylpentane-1,2-diamine

C23H45N3 — CID 45482188

IUPAC(2R)-2-N-[(2R)-2-[2-(1-adamantyl)ethylamino]pentyl]-1-N-methylpentane-1,2-diamine
SMILESCCC[C@H](CNC)NC[C@@H](CCC)NCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H45N3/c1-4-6-21(16-24-3)26-17-22(7-5-2)25-9-8-23-13-18-10-19(14-23)12-20(11-18)15-23/h18-22,24-26H,4-17H2,1-3H3/t18?,19?,20?,21-,22-,23?/m1/s1
InChIKeyBOUSYECNGBAOLG-GOTACUBISA-N
MW363.63 g/mol
LogP4.33
Rot. Bonds13

About (2R)-2-N-[(2R)-2-[2-(1-adamantyl)ethylamino]pentyl]-1-N-methylpentane-1,2-diamine

(2R)-2-N-[(2R)-2-[2-(1-adamantyl)ethylamino]pentyl]-1-N-methylpentane-1,2-diamine (PubChem CID 45482188) has the molecular formula C23H45N3 and a molecular weight of 363.63 g/mol. Its IUPAC name is (2R)-2-N-[(2R)-2-[2-(1-adamantyl)ethylamino]pentyl]-1-N-methylpentane-1,2-diamine.

Molecular Properties

Compound Name(2R)-2-N-[(2R)-2-[2-(1-adamantyl)ethylamino]pentyl]-1-N-methylpentane-1,2-diamine
PubChem CID45482188
Molecular FormulaC23H45N3
Molecular Weight363.63 g/mol
Exact Mass363.36
IUPAC Name(2R)-2-N-[(2R)-2-[2-(1-adamantyl)ethylamino]pentyl]-1-N-methylpentane-1,2-diamine
SMILESCCC[C@H](CNC)NC[C@@H](CCC)NCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H45N3/c1-4-6-21(16-24-3)26-17-22(7-5-2)25-9-8-23-13-18-10-19(14-23)12-20(11-18)15-23/h18-22,24-26H,4-17H2,1-3H3/t18?,19?,20?,21-,22-,23?/m1/s1
InChIKeyBOUSYECNGBAOLG-GOTACUBISA-N
XLogP4.33
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.63
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-[(2R)-2-[2-(1-adamantyl)ethylamino]pentyl]-1-N-methylpentane-1,2-diamine?
The IUPAC name of (2R)-2-N-[(2R)-2-[2-(1-adamantyl)ethylamino]pentyl]-1-N-methylpentane-1,2-diamine (CID 45482188) is (2R)-2-N-[(2R)-2-[2-(1-adamantyl)ethylamino]pentyl]-1-N-methylpentane-1,2-diamine.
What is the SMILES notation for (2R)-2-N-[(2R)-2-[2-(1-adamantyl)ethylamino]pentyl]-1-N-methylpentane-1,2-diamine?
The canonical SMILES for (2R)-2-N-[(2R)-2-[2-(1-adamantyl)ethylamino]pentyl]-1-N-methylpentane-1,2-diamine is CCC[C@H](CNC)NC[C@@H](CCC)NCCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (2R)-2-N-[(2R)-2-[2-(1-adamantyl)ethylamino]pentyl]-1-N-methylpentane-1,2-diamine?
The InChIKey is BOUSYECNGBAOLG-GOTACUBISA-N. The full InChI is InChI=1S/C23H45N3/c1-4-6-21(16-24-3)26-17-22(7-5-2)25-9-8-23-13-18-10-19(14-23)12-20(11-18)15-23/h18-22,24-26H,4-17H2,1-3H3/t18?,19?,20?,21-,22-,23?/m1/s1.
What are the key properties of (2R)-2-N-[(2R)-2-[2-(1-adamantyl)ethylamino]pentyl]-1-N-methylpentane-1,2-diamine?
(2R)-2-N-[(2R)-2-[2-(1-adamantyl)ethylamino]pentyl]-1-N-methylpentane-1,2-diamine has a molecular weight of 363.63 g/mol, XLogP of 4.33, 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-(1-adamantyl)ethylamino]pentyl]-1-N-methylpentane-1,2-diamine is sourced from PubChem (CID 45482188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).