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

C18H24N4 — CID 25052289

IUPACtrans-(1R,2R)-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
SMILESc1ccc(CN[C@@H]2CCCC[C@H]2NCc2ccccn2)nc1
InChIInChI=1S/C18H24N4/c1-2-10-18(22-14-16-8-4-6-12-20-16)17(9-1)21-13-15-7-3-5-11-19-15/h3-8,11-12,17-18,21-22H,1-2,9-10,13-14H2/t17-,18-/m1/s1
InChIKeyROVCIMFUQIQGIJ-QZTJIDSGSA-N
MW296.42 g/mol
LogP2.67
Rot. Bonds6

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

trans-(1R,2R)-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine (PubChem CID 25052289) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is trans-(1R,2R)-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
PubChem CID25052289
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Nametrans-(1R,2R)-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
SMILESc1ccc(CN[C@@H]2CCCC[C@H]2NCc2ccccn2)nc1
InChIInChI=1S/C18H24N4/c1-2-10-18(22-14-16-8-4-6-12-20-16)17(9-1)21-13-15-7-3-5-11-19-15/h3-8,11-12,17-18,21-22H,1-2,9-10,13-14H2/t17-,18-/m1/s1
InChIKeyROVCIMFUQIQGIJ-QZTJIDSGSA-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

cis-(1S,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol
CID 93317478
trans-(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol
CID 93317480
trans-(1S,2S)-2-N-(pyridin-2-ylmethyl)-1-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]cyclohexane-1,2-diamine
CID 59989995
trans-(1S,2S)-2-(pyridin-2-ylmethylamino)cyclopentan-1-ol
CID 93317323
tert-butyl N-[(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexyl]carbamate
CID 68899041
2-piperidin-2-yl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine
CID 79545513
oxalic acid;N-(pyridin-2-ylmethyl)cyclopentanamine
CID 17052919
ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
(1R,2R,4R)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 98119416
N-(pyridin-2-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79543889
N-(pyridin-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 20726962
N-(pyridin-2-ylmethyl)cyclopent-3-en-1-amine
CID 115696455

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine (CID 25052289) is trans-(1R,2R)-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine is c1ccc(CN[C@@H]2CCCC[C@H]2NCc2ccccn2)nc1.
What is the InChIKey of trans-(1R,2R)-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine?
The InChIKey is ROVCIMFUQIQGIJ-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H24N4/c1-2-10-18(22-14-16-8-4-6-12-20-16)17(9-1)21-13-15-7-3-5-11-19-15/h3-8,11-12,17-18,21-22H,1-2,9-10,13-14H2/t17-,18-/m1/s1.
What are the key properties of trans-(1R,2R)-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine?
trans-(1R,2R)-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-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 trans-(1R,2R)-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 25052289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).