2-N,2-N-dimethyl-6-[(4-propyl-1,4-diazepan-1-yl)methyl]-1,3,5-triazine-2,4-diamine

C14H27N7 — CID 56790699

IUPAC2-N,2-N-dimethyl-6-[(4-propyl-1,4-diazepan-1-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCCN1CCCN(Cc2nc(N)nc(N(C)C)n2)CC1
InChIInChI=1S/C14H27N7/c1-4-6-20-7-5-8-21(10-9-20)11-12-16-13(15)18-14(17-12)19(2)3/h4-11H2,1-3H3,(H2,15,16,17,18)
InChIKeyOPIIPHRFBCVIJM-UHFFFAOYSA-N
MW293.42 g/mol
LogP0.44
Rot. Bonds5

About 2-N,2-N-dimethyl-6-[(4-propyl-1,4-diazepan-1-yl)methyl]-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-[(4-propyl-1,4-diazepan-1-yl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 56790699) has the molecular formula C14H27N7 and a molecular weight of 293.42 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-[(4-propyl-1,4-diazepan-1-yl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-[(4-propyl-1,4-diazepan-1-yl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID56790699
Molecular FormulaC14H27N7
Molecular Weight293.42 g/mol
Exact Mass293.23
IUPAC Name2-N,2-N-dimethyl-6-[(4-propyl-1,4-diazepan-1-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCCN1CCCN(Cc2nc(N)nc(N(C)C)n2)CC1
InChIInChI=1S/C14H27N7/c1-4-6-20-7-5-8-21(10-9-20)11-12-16-13(15)18-14(17-12)19(2)3/h4-11H2,1-3H3,(H2,15,16,17,18)
InChIKeyOPIIPHRFBCVIJM-UHFFFAOYSA-N
XLogP0.44
TPSA74.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-[(4-propyl-1,4-diazepan-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-[(4-propyl-1,4-diazepan-1-yl)methyl]-1,3,5-triazine-2,4-diamine (CID 56790699) is 2-N,2-N-dimethyl-6-[(4-propyl-1,4-diazepan-1-yl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-[(4-propyl-1,4-diazepan-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-[(4-propyl-1,4-diazepan-1-yl)methyl]-1,3,5-triazine-2,4-diamine is CCCN1CCCN(Cc2nc(N)nc(N(C)C)n2)CC1.
What is the InChIKey of 2-N,2-N-dimethyl-6-[(4-propyl-1,4-diazepan-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is OPIIPHRFBCVIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N7/c1-4-6-20-7-5-8-21(10-9-20)11-12-16-13(15)18-14(17-12)19(2)3/h4-11H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-N,2-N-dimethyl-6-[(4-propyl-1,4-diazepan-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-[(4-propyl-1,4-diazepan-1-yl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 293.42 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-[(4-propyl-1,4-diazepan-1-yl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 56790699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).