trans-(1R,2R)-1-N,2-N-dipyridin-4-ylcyclohexane-1,2-diamine

C16H20N4 — CID 102496168

IUPACtrans-(1R,2R)-1-N,2-N-dipyridin-4-ylcyclohexane-1,2-diamine
SMILESc1cc(N[C@@H]2CCCC[C@H]2Nc2ccncc2)ccn1
InChIInChI=1S/C16H20N4/c1-2-4-16(20-14-7-11-18-12-8-14)15(3-1)19-13-5-9-17-10-6-13/h5-12,15-16H,1-4H2,(H,17,19)(H,18,20)/t15-,16-/m1/s1
InChIKeyHAONGNSEPSSZSO-HZPDHXFCSA-N
MW268.36 g/mol
LogP3.31
Rot. Bonds4

About trans-(1R,2R)-1-N,2-N-dipyridin-4-ylcyclohexane-1,2-diamine

trans-(1R,2R)-1-N,2-N-dipyridin-4-ylcyclohexane-1,2-diamine (PubChem CID 102496168) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is trans-(1R,2R)-1-N,2-N-dipyridin-4-ylcyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-1-N,2-N-dipyridin-4-ylcyclohexane-1,2-diamine
PubChem CID102496168
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Nametrans-(1R,2R)-1-N,2-N-dipyridin-4-ylcyclohexane-1,2-diamine
SMILESc1cc(N[C@@H]2CCCC[C@H]2Nc2ccncc2)ccn1
InChIInChI=1S/C16H20N4/c1-2-4-16(20-14-7-11-18-12-8-14)15(3-1)19-13-5-9-17-10-6-13/h5-12,15-16H,1-4H2,(H,17,19)(H,18,20)/t15-,16-/m1/s1
InChIKeyHAONGNSEPSSZSO-HZPDHXFCSA-N
XLogP3.31
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-pyridin-4-ylcyclohexane-1,2-diamine
CID 61038015
trans-(1R,2R)-2-N-pyridin-4-ylcyclohexane-1,2-diamine
CID 93453630
1-N-pyridin-4-ylcycloheptane-1,2-diamine
CID 63258544
N-(2-methylcyclopentyl)pyridin-4-amine
CID 63281266
N-(2-ethylcyclohexyl)pyridin-4-amine
CID 61469829
cis-(1R,2S)-1-N,2-N-diphenylcyclohexane-1,2-diamine
CID 142660752
N-(oxonan-4-yl)pyridin-4-amine
CID 57144973
N-(4-chlorocyclohexyl)pyridin-4-amine
CID 65027641
1-cyclopentyl-3-(pyridin-4-ylamino)pyrrolidine-2,5-dione
CID 43637410
N-[(3R)-pyrrolidin-3-yl]pyridin-4-amine
CID 89333322
trans-(1S,2S)-2-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol
CID 133495254
N-(azetidin-3-yl)pyridin-4-amine;ethane
CID 144986500

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-N,2-N-dipyridin-4-ylcyclohexane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-1-N,2-N-dipyridin-4-ylcyclohexane-1,2-diamine (CID 102496168) is trans-(1R,2R)-1-N,2-N-dipyridin-4-ylcyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-1-N,2-N-dipyridin-4-ylcyclohexane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-1-N,2-N-dipyridin-4-ylcyclohexane-1,2-diamine is c1cc(N[C@@H]2CCCC[C@H]2Nc2ccncc2)ccn1.
What is the InChIKey of trans-(1R,2R)-1-N,2-N-dipyridin-4-ylcyclohexane-1,2-diamine?
The InChIKey is HAONGNSEPSSZSO-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H20N4/c1-2-4-16(20-14-7-11-18-12-8-14)15(3-1)19-13-5-9-17-10-6-13/h5-12,15-16H,1-4H2,(H,17,19)(H,18,20)/t15-,16-/m1/s1.
What are the key properties of trans-(1R,2R)-1-N,2-N-dipyridin-4-ylcyclohexane-1,2-diamine?
trans-(1R,2R)-1-N,2-N-dipyridin-4-ylcyclohexane-1,2-diamine has a molecular weight of 268.36 g/mol, XLogP of 3.31, 4 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-dipyridin-4-ylcyclohexane-1,2-diamine is sourced from PubChem (CID 102496168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).