6-[[(4-aminocyclohexyl)-ethylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C14H27N7 — CID 79112881

IUPAC6-[[(4-aminocyclohexyl)-ethylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCN(Cc1nc(N)nc(N(C)C)n1)C1CCC(N)CC1
InChIInChI=1S/C14H27N7/c1-4-21(11-7-5-10(15)6-8-11)9-12-17-13(16)19-14(18-12)20(2)3/h10-11H,4-9,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyKHRQHEPVEWXBJP-UHFFFAOYSA-N
MW293.42 g/mol
LogP0.61
Rot. Bonds5

About 6-[[(4-aminocyclohexyl)-ethylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-[[(4-aminocyclohexyl)-ethylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 79112881) has the molecular formula C14H27N7 and a molecular weight of 293.42 g/mol. Its IUPAC name is 6-[[(4-aminocyclohexyl)-ethylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[(4-aminocyclohexyl)-ethylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID79112881
Molecular FormulaC14H27N7
Molecular Weight293.42 g/mol
Exact Mass293.23
IUPAC Name6-[[(4-aminocyclohexyl)-ethylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCN(Cc1nc(N)nc(N(C)C)n1)C1CCC(N)CC1
InChIInChI=1S/C14H27N7/c1-4-21(11-7-5-10(15)6-8-11)9-12-17-13(16)19-14(18-12)20(2)3/h10-11H,4-9,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyKHRQHEPVEWXBJP-UHFFFAOYSA-N
XLogP0.61
TPSA97.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[[(4-aminocyclohexyl)-ethylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 63300392
6-[[cyclopropyl(pyrrolidin-2-ylmethyl)amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 106599822
2-N,2-N-dimethyl-6-[[methyl(piperidin-4-ylmethyl)amino]methyl]-1,3,5-triazine-2,4-diamine
CID 79717108
4-N,4-N-diethylcyclohexane-1,4-diamine;dihydrochloride
CID 53408661
6-[[ethyl(piperidin-3-yl)amino]methyl]-1,3,5-triazine-2,4-diamine
CID 63637130
2-N-cyclopropyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80774808
4-N-ethyl-4-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,4-diamine
CID 79115828
4-N-[(3,4-difluorophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79116008
4-N-ethyl-4-N-[(2-propyl-1,3-thiazol-4-yl)methyl]cyclohexane-1,4-diamine
CID 79116301
4-N-ethyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 79116173
4-N-[(6-chloro-2-pyridinyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79241003
4-N-[(2-chloro-4-pyridinyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79115783

Frequently Asked Questions

What is the IUPAC name of 6-[[(4-aminocyclohexyl)-ethylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[(4-aminocyclohexyl)-ethylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 79112881) is 6-[[(4-aminocyclohexyl)-ethylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[(4-aminocyclohexyl)-ethylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[(4-aminocyclohexyl)-ethylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CCN(Cc1nc(N)nc(N(C)C)n1)C1CCC(N)CC1.
What is the InChIKey of 6-[[(4-aminocyclohexyl)-ethylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is KHRQHEPVEWXBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N7/c1-4-21(11-7-5-10(15)6-8-11)9-12-17-13(16)19-14(18-12)20(2)3/h10-11H,4-9,15H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 6-[[(4-aminocyclohexyl)-ethylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[[(4-aminocyclohexyl)-ethylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 293.42 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(4-aminocyclohexyl)-ethylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 79112881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).