N-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromo-3-methylpyridin-2-amine

C14H22BrN3 — CID 79718564

IUPACN-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromo-3-methylpyridin-2-amine
SMILESCc1cc(Br)cnc1NC1(CN)CCCC(C)C1
InChIInChI=1S/C14H22BrN3/c1-10-4-3-5-14(7-10,9-16)18-13-11(2)6-12(15)8-17-13/h6,8,10H,3-5,7,9,16H2,1-2H3,(H,17,18)
InChIKeyFZMDDMJIGZLXIU-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.47
Rot. Bonds3

About N-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromo-3-methylpyridin-2-amine

N-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromo-3-methylpyridin-2-amine (PubChem CID 79718564) has the molecular formula C14H22BrN3 and a molecular weight of 312.25 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromo-3-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromo-3-methylpyridin-2-amine
PubChem CID79718564
Molecular FormulaC14H22BrN3
Molecular Weight312.25 g/mol
Exact Mass311.10
IUPAC NameN-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromo-3-methylpyridin-2-amine
SMILESCc1cc(Br)cnc1NC1(CN)CCCC(C)C1
InChIInChI=1S/C14H22BrN3/c1-10-4-3-5-14(7-10,9-16)18-13-11(2)6-12(15)8-17-13/h6,8,10H,3-5,7,9,16H2,1-2H3,(H,17,18)
InChIKeyFZMDDMJIGZLXIU-UHFFFAOYSA-N
XLogP3.47
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)-3-methylcyclohexyl]-3-bromoquinolin-8-amine
CID 116783775
N-[1-(aminomethyl)-3-methylcyclohexyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 63759270
N-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromoisoquinolin-1-amine
CID 106543360
N-[1-(aminomethyl)-3-methylcyclohexyl]-3-methylaniline
CID 65379249
3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-methylpyrazin-2-one
CID 63760024
N-[[1-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-methylpyridin-2-amine
CID 113360041
N-[1-(aminomethyl)-3-methylcyclohexyl]pyridazin-3-amine
CID 63761826
N-[1-(chloromethyl)-3-methylcyclohexyl]-3-methylpyridin-2-amine
CID 65028763
3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one
CID 63761629
1-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 104924128
1-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)cyclohexane-1-carboxamide
CID 83166521
N-[1-(aminomethyl)-3-methylcyclohexyl]-3-ethyltriazol-4-amine
CID 114223495

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromo-3-methylpyridin-2-amine?
The IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromo-3-methylpyridin-2-amine (CID 79718564) is N-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromo-3-methylpyridin-2-amine.
What is the SMILES notation for N-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromo-3-methylpyridin-2-amine?
The canonical SMILES for N-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromo-3-methylpyridin-2-amine is Cc1cc(Br)cnc1NC1(CN)CCCC(C)C1.
What is the InChIKey of N-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromo-3-methylpyridin-2-amine?
The InChIKey is FZMDDMJIGZLXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-10-4-3-5-14(7-10,9-16)18-13-11(2)6-12(15)8-17-13/h6,8,10H,3-5,7,9,16H2,1-2H3,(H,17,18).
What are the key properties of N-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromo-3-methylpyridin-2-amine?
N-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromo-3-methylpyridin-2-amine has a molecular weight of 312.25 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromo-3-methylpyridin-2-amine is sourced from PubChem (CID 79718564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).