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

C19H41N3 — CID 45482174

IUPAC(2R)-2-N-[(2R)-2-(cycloheptylmethylamino)pentyl]-1-N-methylpentane-1,2-diamine
SMILESCCC[C@H](CNC)NC[C@@H](CCC)NCC1CCCCCC1
InChIInChI=1S/C19H41N3/c1-4-10-18(15-20-3)22-16-19(11-5-2)21-14-17-12-8-6-7-9-13-17/h17-22H,4-16H2,1-3H3/t18-,19-/m1/s1
InChIKeyVKSKBVPCQVKGJZ-RTBURBONSA-N
MW311.56 g/mol
LogP3.69
Rot. Bonds12

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

(2R)-2-N-[(2R)-2-(cycloheptylmethylamino)pentyl]-1-N-methylpentane-1,2-diamine (PubChem CID 45482174) has the molecular formula C19H41N3 and a molecular weight of 311.56 g/mol. Its IUPAC name is (2R)-2-N-[(2R)-2-(cycloheptylmethylamino)pentyl]-1-N-methylpentane-1,2-diamine.

Molecular Properties

Compound Name(2R)-2-N-[(2R)-2-(cycloheptylmethylamino)pentyl]-1-N-methylpentane-1,2-diamine
PubChem CID45482174
Molecular FormulaC19H41N3
Molecular Weight311.56 g/mol
Exact Mass311.33
IUPAC Name(2R)-2-N-[(2R)-2-(cycloheptylmethylamino)pentyl]-1-N-methylpentane-1,2-diamine
SMILESCCC[C@H](CNC)NC[C@@H](CCC)NCC1CCCCCC1
InChIInChI=1S/C19H41N3/c1-4-10-18(15-20-3)22-16-19(11-5-2)21-14-17-12-8-6-7-9-13-17/h17-22H,4-16H2,1-3H3/t18-,19-/m1/s1
InChIKeyVKSKBVPCQVKGJZ-RTBURBONSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N1-[3-[(Cycloheptylmethyl)amino]propyl]-N3-[3-(ethylamino)propyl]-1,3-propanediamine
CID 9797429
Propoctamine
CID 107147
4-cyclohexylbutyl-[(1R)-2-methyl-1-[[[(1S)-1-(methylaminomethyl)pentyl]amino]methyl]propyl]amine
CID 24793490
(R)-N1-methyl-N2-((R)-2-((4-methylcyclohexyl)methylamino)pentyl)pentane-1,2-diamine
CID 45482187
(R)-N2-(2-cyclopentylethyl)-N1-((R)-1-(methylamino)pentan-2-yl)pentane-1,2-diamine
CID 45482209
N'-[2-(cyclopentadecylmethylamino)ethyl]ethane-1,2-diamine;trihydrochloride
CID 137649327
N'-(cyclopentadecylmethyl)ethane-1,2-diamine;dihydrochloride
CID 137653010
N'-[3-(cycloheptylmethylamino)propyl]-N-[3-(ethylamino)propyl]heptane-1,7-diamine
CID 44288161
amine S-24
CID 19985237
1,6-Hexanediamine, N,N'-bis(2,5-dimethylheptyl)-1,6-dimethyl-, dihydrochloride
CID 44809
N'-[(4-aminocycloheptyl)methyl]-N-ethylpropane-1,3-diamine
CID 44288500
N'-[3-(cycloheptylmethylamino)propyl]-N-ethylpropane-1,3-diamine
CID 44321383

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-[(2R)-2-(cycloheptylmethylamino)pentyl]-1-N-methylpentane-1,2-diamine?
The IUPAC name of (2R)-2-N-[(2R)-2-(cycloheptylmethylamino)pentyl]-1-N-methylpentane-1,2-diamine (CID 45482174) is (2R)-2-N-[(2R)-2-(cycloheptylmethylamino)pentyl]-1-N-methylpentane-1,2-diamine.
What is the SMILES notation for (2R)-2-N-[(2R)-2-(cycloheptylmethylamino)pentyl]-1-N-methylpentane-1,2-diamine?
The canonical SMILES for (2R)-2-N-[(2R)-2-(cycloheptylmethylamino)pentyl]-1-N-methylpentane-1,2-diamine is CCC[C@H](CNC)NC[C@@H](CCC)NCC1CCCCCC1.
What is the InChIKey of (2R)-2-N-[(2R)-2-(cycloheptylmethylamino)pentyl]-1-N-methylpentane-1,2-diamine?
The InChIKey is VKSKBVPCQVKGJZ-RTBURBONSA-N. The full InChI is InChI=1S/C19H41N3/c1-4-10-18(15-20-3)22-16-19(11-5-2)21-14-17-12-8-6-7-9-13-17/h17-22H,4-16H2,1-3H3/t18-,19-/m1/s1.
What are the key properties of (2R)-2-N-[(2R)-2-(cycloheptylmethylamino)pentyl]-1-N-methylpentane-1,2-diamine?
(2R)-2-N-[(2R)-2-(cycloheptylmethylamino)pentyl]-1-N-methylpentane-1,2-diamine has a molecular weight of 311.56 g/mol, XLogP of 3.69, 12 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-(cycloheptylmethylamino)pentyl]-1-N-methylpentane-1,2-diamine is sourced from PubChem (CID 45482174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).