1-N,1-N-bis(pyridin-2-ylmethyl)cyclohexane-1,3-diamine

C18H24N4 — CID 70873996

IUPAC1-N,1-N-bis(pyridin-2-ylmethyl)cyclohexane-1,3-diamine
SMILESNC1CCCC(N(Cc2ccccn2)Cc2ccccn2)C1
InChIInChI=1S/C18H24N4/c19-15-6-5-9-18(12-15)22(13-16-7-1-3-10-20-16)14-17-8-2-4-11-21-17/h1-4,7-8,10-11,15,18H,5-6,9,12-14,19H2
InChIKeyILMLLEKLVOKWBE-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.75
Rot. Bonds5

About 1-N,1-N-bis(pyridin-2-ylmethyl)cyclohexane-1,3-diamine

1-N,1-N-bis(pyridin-2-ylmethyl)cyclohexane-1,3-diamine (PubChem CID 70873996) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 1-N,1-N-bis(pyridin-2-ylmethyl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-bis(pyridin-2-ylmethyl)cyclohexane-1,3-diamine
PubChem CID70873996
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name1-N,1-N-bis(pyridin-2-ylmethyl)cyclohexane-1,3-diamine
SMILESNC1CCCC(N(Cc2ccccn2)Cc2ccccn2)C1
InChIInChI=1S/C18H24N4/c19-15-6-5-9-18(12-15)22(13-16-7-1-3-10-20-16)14-17-8-2-4-11-21-17/h1-4,7-8,10-11,15,18H,5-6,9,12-14,19H2
InChIKeyILMLLEKLVOKWBE-UHFFFAOYSA-N
XLogP2.75
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-methyl-3-N-(pyridin-2-ylmethyl)cyclopentane-1,3-diamine
CID 79469541
N-benzyl-N-(pyridin-2-ylmethyl)cyclohexanamine
CID 71881409
N'-cyclopentyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 43137570
1-N-benzyl-1-N,2-N,2-N-tris(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
CID 91027062
N-[(1-ethylimidazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)cyclohexanamine
CID 77092740
N-(1,3-oxazol-4-ylmethyl)-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 120844902
(4R)-N-(1,2-oxazol-3-ylmethyl)-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 129323625
cis-(1R,2S)-2-(pyridin-2-ylmethyl)cyclopentan-1-amine
CID 96630031
N-ethyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 60806467
N-prop-2-enyl-N-(pyridin-2-ylmethyl)piperidin-3-amine;dihydrochloride
CID 154885927
(4R)-N-[(2,5-difluorophenyl)methyl]-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 129475727
2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(pyridin-2-ylmethyl)amino]acetic acid
CID 176507613

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-bis(pyridin-2-ylmethyl)cyclohexane-1,3-diamine?
The IUPAC name of 1-N,1-N-bis(pyridin-2-ylmethyl)cyclohexane-1,3-diamine (CID 70873996) is 1-N,1-N-bis(pyridin-2-ylmethyl)cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-bis(pyridin-2-ylmethyl)cyclohexane-1,3-diamine?
The canonical SMILES for 1-N,1-N-bis(pyridin-2-ylmethyl)cyclohexane-1,3-diamine is NC1CCCC(N(Cc2ccccn2)Cc2ccccn2)C1.
What is the InChIKey of 1-N,1-N-bis(pyridin-2-ylmethyl)cyclohexane-1,3-diamine?
The InChIKey is ILMLLEKLVOKWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c19-15-6-5-9-18(12-15)22(13-16-7-1-3-10-20-16)14-17-8-2-4-11-21-17/h1-4,7-8,10-11,15,18H,5-6,9,12-14,19H2.
What are the key properties of 1-N,1-N-bis(pyridin-2-ylmethyl)cyclohexane-1,3-diamine?
1-N,1-N-bis(pyridin-2-ylmethyl)cyclohexane-1,3-diamine has a molecular weight of 296.42 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-bis(pyridin-2-ylmethyl)cyclohexane-1,3-diamine is sourced from PubChem (CID 70873996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).