1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine

C18H24N4 — CID 139088209

IUPAC1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
SMILESc1cncc(CNC2CCC(NCc3cccnc3)CC2)c1
InChIInChI=1S/C18H24N4/c1-3-15(11-19-9-1)13-21-17-5-7-18(8-6-17)22-14-16-4-2-10-20-12-16/h1-4,9-12,17-18,21-22H,5-8,13-14H2
InChIKeyODSFKUZUQKDABX-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.67
Rot. Bonds6

About 1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine

1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine (PubChem CID 139088209) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
PubChem CID139088209
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
SMILESc1cncc(CNC2CCC(NCc3cccnc3)CC2)c1
InChIInChI=1S/C18H24N4/c1-3-15(11-19-9-1)13-21-17-5-7-18(8-6-17)22-14-16-4-2-10-20-12-16/h1-4,9-12,17-18,21-22H,5-8,13-14H2
InChIKeyODSFKUZUQKDABX-UHFFFAOYSA-N
XLogP2.67
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine
CID 177421480
N-(pyridin-3-ylmethyl)thian-4-amine
CID 43394819
4,4-difluoro-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 126787190
2-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide
CID 141409752
(3R)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 71636735
(3S)-N-(pyridin-3-ylmethyl)piperidin-3-amine
CID 53256527
(2S)-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 30983305
8-methyl-N-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43131751
2-cyclohexyl-N-[4-(pyridin-3-ylmethylamino)cyclohexyl]acetamide
CID 169215534
N-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43276842
N-[[5-chloro-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine
CID 104736872
tert-butyl 4-(pyridin-3-ylmethylamino)piperidine-1-carboxylate
CID 2761049

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine?
The IUPAC name of 1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine (CID 139088209) is 1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine is c1cncc(CNC2CCC(NCc3cccnc3)CC2)c1.
What is the InChIKey of 1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine?
The InChIKey is ODSFKUZUQKDABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-3-15(11-19-9-1)13-21-17-5-7-18(8-6-17)22-14-16-4-2-10-20-12-16/h1-4,9-12,17-18,21-22H,5-8,13-14H2.
What are the key properties of 1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine?
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine has a molecular weight of 296.42 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 139088209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).