1-N,4-dimethyl-1-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine

C13H23N3 — CID 115318155

IUPAC1-N,4-dimethyl-1-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine
SMILESCc1cccc(N(C)CCC(N)C(C)C)n1
InChIInChI=1S/C13H23N3/c1-10(2)12(14)8-9-16(4)13-7-5-6-11(3)15-13/h5-7,10,12H,8-9,14H2,1-4H3
InChIKeyMLLWMLOJDLGUJM-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.20
Rot. Bonds5

About 1-N,4-dimethyl-1-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine

1-N,4-dimethyl-1-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine (PubChem CID 115318155) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-N,4-dimethyl-1-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine.

Molecular Properties

Compound Name1-N,4-dimethyl-1-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine
PubChem CID115318155
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-N,4-dimethyl-1-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine
SMILESCc1cccc(N(C)CCC(N)C(C)C)n1
InChIInChI=1S/C13H23N3/c1-10(2)12(14)8-9-16(4)13-7-5-6-11(3)15-13/h5-7,10,12H,8-9,14H2,1-4H3
InChIKeyMLLWMLOJDLGUJM-UHFFFAOYSA-N
XLogP2.20
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-amino-4-methylpentyl)-methylamino]-6-methylpyridine-4-carbonitrile
CID 114770229
N,6-dimethyl-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 141150194
2-[(3-amino-4-methylpentyl)-methylamino]-6-methylpyridine-3-carbonitrile
CID 113285623
N,N'-dimethyl-N'-(6-methyl-2-pyridinyl)ethane-1,2-diamine
CID 62593520
1-N,4-dimethyl-1-N-(4-methyl-1-phenylimidazol-2-yl)pentane-1,3-diamine
CID 106553574
4-[(3-amino-4-methylpentyl)-methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136979021
1-N,4-dimethyl-1-N-quinazolin-2-ylpentane-1,3-diamine
CID 114789544
N,6-dimethyl-N-[2-(2-methylphenoxy)ethyl]pyridin-2-amine
CID 133313504
N,6-dimethyl-N-(1-methylsulfanylpropan-2-yl)pyridin-2-amine
CID 75509870
4-[(3-amino-4-methylpentyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136989504
1-N,4-dimethyl-1-N-(6-propylpyrimidin-4-yl)pentane-1,3-diamine
CID 113285625
1-N-(4-chloro-1,3-thiazol-2-yl)-1-N,4-dimethylpentane-1,3-diamine
CID 83155925

Frequently Asked Questions

What is the IUPAC name of 1-N,4-dimethyl-1-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine?
The IUPAC name of 1-N,4-dimethyl-1-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine (CID 115318155) is 1-N,4-dimethyl-1-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine.
What is the SMILES notation for 1-N,4-dimethyl-1-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine?
The canonical SMILES for 1-N,4-dimethyl-1-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine is Cc1cccc(N(C)CCC(N)C(C)C)n1.
What is the InChIKey of 1-N,4-dimethyl-1-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine?
The InChIKey is MLLWMLOJDLGUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10(2)12(14)8-9-16(4)13-7-5-6-11(3)15-13/h5-7,10,12H,8-9,14H2,1-4H3.
What are the key properties of 1-N,4-dimethyl-1-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine?
1-N,4-dimethyl-1-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine has a molecular weight of 221.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-dimethyl-1-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine is sourced from PubChem (CID 115318155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).