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

C14H23N3 — CID 79122150

IUPAC1-N,4-N-dimethyl-4-N-(6-methyl-2-pyridinyl)cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)c2cccc(C)n2)CC1
InChIInChI=1S/C14H23N3/c1-11-5-4-6-14(16-11)17(3)13-9-7-12(15-2)8-10-13/h4-6,12-13,15H,7-10H2,1-3H3
InChIKeyDNINVJAKZTXGFI-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.36
Rot. Bonds3

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

1-N,4-N-dimethyl-4-N-(6-methyl-2-pyridinyl)cyclohexane-1,4-diamine (PubChem CID 79122150) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-4-N-(6-methyl-2-pyridinyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-4-N-(6-methyl-2-pyridinyl)cyclohexane-1,4-diamine
PubChem CID79122150
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-N,4-N-dimethyl-4-N-(6-methyl-2-pyridinyl)cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)c2cccc(C)n2)CC1
InChIInChI=1S/C14H23N3/c1-11-5-4-6-14(16-11)17(3)13-9-7-12(15-2)8-10-13/h4-6,12-13,15H,7-10H2,1-3H3
InChIKeyDNINVJAKZTXGFI-UHFFFAOYSA-N
XLogP2.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-4-N-(6-methyl-2-pyridinyl)cyclohexane-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-4-N-(6-methyl-2-pyridinyl)cyclohexane-1,4-diamine (CID 79122150) is 1-N,4-N-dimethyl-4-N-(6-methyl-2-pyridinyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-4-N-(6-methyl-2-pyridinyl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-4-N-(6-methyl-2-pyridinyl)cyclohexane-1,4-diamine is CNC1CCC(N(C)c2cccc(C)n2)CC1.
What is the InChIKey of 1-N,4-N-dimethyl-4-N-(6-methyl-2-pyridinyl)cyclohexane-1,4-diamine?
The InChIKey is DNINVJAKZTXGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11-5-4-6-14(16-11)17(3)13-9-7-12(15-2)8-10-13/h4-6,12-13,15H,7-10H2,1-3H3.
What are the key properties of 1-N,4-N-dimethyl-4-N-(6-methyl-2-pyridinyl)cyclohexane-1,4-diamine?
1-N,4-N-dimethyl-4-N-(6-methyl-2-pyridinyl)cyclohexane-1,4-diamine has a molecular weight of 233.36 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethyl-4-N-(6-methyl-2-pyridinyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79122150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).