N-[1-(aminomethyl)-4-methylcyclohexyl]-1,2,4-benzotriazin-3-amine

C15H21N5 — CID 103205205

IUPACN-[1-(aminomethyl)-4-methylcyclohexyl]-1,2,4-benzotriazin-3-amine
SMILESCC1CCC(CN)(Nc2nnc3ccccc3n2)CC1
InChIInChI=1S/C15H21N5/c1-11-6-8-15(10-16,9-7-11)18-14-17-12-4-2-3-5-13(12)19-20-14/h2-5,11H,6-10,16H2,1H3,(H,17,18,20)
InChIKeyFDLDLFCISOVITE-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.34
Rot. Bonds3

About N-[1-(aminomethyl)-4-methylcyclohexyl]-1,2,4-benzotriazin-3-amine

N-[1-(aminomethyl)-4-methylcyclohexyl]-1,2,4-benzotriazin-3-amine (PubChem CID 103205205) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-methylcyclohexyl]-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-methylcyclohexyl]-1,2,4-benzotriazin-3-amine
PubChem CID103205205
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC NameN-[1-(aminomethyl)-4-methylcyclohexyl]-1,2,4-benzotriazin-3-amine
SMILESCC1CCC(CN)(Nc2nnc3ccccc3n2)CC1
InChIInChI=1S/C15H21N5/c1-11-6-8-15(10-16,9-7-11)18-14-17-12-4-2-3-5-13(12)19-20-14/h2-5,11H,6-10,16H2,1H3,(H,17,18,20)
InChIKeyFDLDLFCISOVITE-UHFFFAOYSA-N
XLogP2.34
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(aminomethyl)-4-methylcyclohexyl]quinazolin-2-amine
CID 114789938
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methylaniline
CID 65379472
N-(1-methylcyclopropyl)-1,2,4-benzotriazin-3-amine
CID 103204508
[4-methyl-1-(quinazolin-2-ylamino)cyclohexyl]methanol
CID 114789059
[4-methyl-1-(quinoxalin-2-ylamino)cyclohexyl]methanol
CID 62525503
N-[1-(aminomethyl)-4-methylcyclohexyl]-4-ethyl-1,3-thiazol-2-amine
CID 63759277
1-(aminomethyl)-N-(3-fluorophenyl)-4-methylcycloheptan-1-amine
CID 65383824
1-[1-(aminomethyl)-4-methylcyclohexyl]-3-benzylurea
CID 107653310
[1-(1H-benzimidazol-2-yl)-4-methylcyclohexyl]methanamine
CID 113310412
3-N-(1,2,4-benzotriazin-3-yl)-3-methylbutane-1,3-diamine
CID 103205235
N-[1-(aminomethyl)-4-methylcyclohexyl]furo[3,2-c]pyridin-4-amine
CID 106535777
[4-methyl-1-(1-methylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 115441203

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-1,2,4-benzotriazin-3-amine?
The IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-1,2,4-benzotriazin-3-amine (CID 103205205) is N-[1-(aminomethyl)-4-methylcyclohexyl]-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for N-[1-(aminomethyl)-4-methylcyclohexyl]-1,2,4-benzotriazin-3-amine?
The canonical SMILES for N-[1-(aminomethyl)-4-methylcyclohexyl]-1,2,4-benzotriazin-3-amine is CC1CCC(CN)(Nc2nnc3ccccc3n2)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-methylcyclohexyl]-1,2,4-benzotriazin-3-amine?
The InChIKey is FDLDLFCISOVITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-11-6-8-15(10-16,9-7-11)18-14-17-12-4-2-3-5-13(12)19-20-14/h2-5,11H,6-10,16H2,1H3,(H,17,18,20).
What are the key properties of N-[1-(aminomethyl)-4-methylcyclohexyl]-1,2,4-benzotriazin-3-amine?
N-[1-(aminomethyl)-4-methylcyclohexyl]-1,2,4-benzotriazin-3-amine has a molecular weight of 271.37 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-methylcyclohexyl]-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 103205205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).