trans-(1R,2R)-2-N-(7-bromo-1,5-naphthyridin-4-yl)cyclohexane-1,2-diamine

C14H17BrN4 — CID 102738731

IUPACtrans-(1R,2R)-2-N-(7-bromo-1,5-naphthyridin-4-yl)cyclohexane-1,2-diamine
SMILESN[C@@H]1CCCC[C@H]1Nc1ccnc2cc(Br)cnc12
InChIInChI=1S/C14H17BrN4/c15-9-7-13-14(18-8-9)12(5-6-17-13)19-11-4-2-1-3-10(11)16/h5-8,10-11H,1-4,16H2,(H,17,19)/t10-,11-/m1/s1
InChIKeyXCVFTRVDXIHNLV-GHMZBOCLSA-N
MW321.22 g/mol
LogP3.07
Rot. Bonds2

About trans-(1R,2R)-2-N-(7-bromo-1,5-naphthyridin-4-yl)cyclohexane-1,2-diamine

trans-(1R,2R)-2-N-(7-bromo-1,5-naphthyridin-4-yl)cyclohexane-1,2-diamine (PubChem CID 102738731) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is trans-(1R,2R)-2-N-(7-bromo-1,5-naphthyridin-4-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-N-(7-bromo-1,5-naphthyridin-4-yl)cyclohexane-1,2-diamine
PubChem CID102738731
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Nametrans-(1R,2R)-2-N-(7-bromo-1,5-naphthyridin-4-yl)cyclohexane-1,2-diamine
SMILESN[C@@H]1CCCC[C@H]1Nc1ccnc2cc(Br)cnc12
InChIInChI=1S/C14H17BrN4/c15-9-7-13-14(18-8-9)12(5-6-17-13)19-11-4-2-1-3-10(11)16/h5-8,10-11H,1-4,16H2,(H,17,19)/t10-,11-/m1/s1
InChIKeyXCVFTRVDXIHNLV-GHMZBOCLSA-N
XLogP3.07
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-N-[2-(chloromethyl)cyclohexyl]-1,5-naphthyridin-4-amine
CID 106365685
trans-(1S,2S)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]cyclopentan-1-ol
CID 99777938
2-[(7-bromo-1,5-naphthyridin-4-yl)amino]cyclopentan-1-ol
CID 91648836
7-bromo-N-[2-(chloromethyl)cyclopentyl]-1,5-naphthyridin-4-amine
CID 106365510
7-bromo-N-(2-pyrazol-1-ylcyclohexyl)-1,5-naphthyridin-4-amine
CID 133483777
7-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,5-naphthyridin-4-amine
CID 133482136
7-bromo-N-[(2-methylcyclopentyl)methyl]-1,5-naphthyridin-4-amine
CID 107419345
cis-(1R,2S)-2-N-(5-bromo-2-pyridinyl)cyclohexane-1,2-diamine
CID 93453964
4-[(7-bromo-1,5-naphthyridin-4-yl)amino]pyrrolidin-2-one
CID 105023349
7-bromo-N-[(2-methylcyclopropyl)methyl]-1,5-naphthyridin-4-amine
CID 113463910
7-bromo-N-(pyrrolidin-2-ylmethyl)-1,5-naphthyridin-4-amine
CID 113394440
2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-cyclopropylacetamide
CID 113394394

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-N-(7-bromo-1,5-naphthyridin-4-yl)cyclohexane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-2-N-(7-bromo-1,5-naphthyridin-4-yl)cyclohexane-1,2-diamine (CID 102738731) is trans-(1R,2R)-2-N-(7-bromo-1,5-naphthyridin-4-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-2-N-(7-bromo-1,5-naphthyridin-4-yl)cyclohexane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-2-N-(7-bromo-1,5-naphthyridin-4-yl)cyclohexane-1,2-diamine is N[C@@H]1CCCC[C@H]1Nc1ccnc2cc(Br)cnc12.
What is the InChIKey of trans-(1R,2R)-2-N-(7-bromo-1,5-naphthyridin-4-yl)cyclohexane-1,2-diamine?
The InChIKey is XCVFTRVDXIHNLV-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H17BrN4/c15-9-7-13-14(18-8-9)12(5-6-17-13)19-11-4-2-1-3-10(11)16/h5-8,10-11H,1-4,16H2,(H,17,19)/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-N-(7-bromo-1,5-naphthyridin-4-yl)cyclohexane-1,2-diamine?
trans-(1R,2R)-2-N-(7-bromo-1,5-naphthyridin-4-yl)cyclohexane-1,2-diamine has a molecular weight of 321.22 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-N-(7-bromo-1,5-naphthyridin-4-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 102738731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).