N',N'-diethyl-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)propane-1,3-diamine

C13H27N7O — CID 80938206

IUPACN',N'-diethyl-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)propane-1,3-diamine
SMILESCCN(CC)CCCNc1nc(NN)nc(OC(C)C)n1
InChIInChI=1S/C13H27N7O/c1-5-20(6-2)9-7-8-15-11-16-12(19-14)18-13(17-11)21-10(3)4/h10H,5-9,14H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyRHVVNWOFHAMXPH-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.09
Rot. Bonds10

About N',N'-diethyl-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)propane-1,3-diamine

N',N'-diethyl-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)propane-1,3-diamine (PubChem CID 80938206) has the molecular formula C13H27N7O and a molecular weight of 297.41 g/mol. Its IUPAC name is N',N'-diethyl-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)propane-1,3-diamine
PubChem CID80938206
Molecular FormulaC13H27N7O
Molecular Weight297.41 g/mol
Exact Mass297.23
IUPAC NameN',N'-diethyl-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)propane-1,3-diamine
SMILESCCN(CC)CCCNc1nc(NN)nc(OC(C)C)n1
InChIInChI=1S/C13H27N7O/c1-5-20(6-2)9-7-8-15-11-16-12(19-14)18-13(17-11)21-10(3)4/h10H,5-9,14H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyRHVVNWOFHAMXPH-UHFFFAOYSA-N
XLogP1.09
TPSA101.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

N',N'-diethyl-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)ethane-1,2-diamine
CID 80932481
4-hydrazinyl-N-(2-methoxyethyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80931989
2-N-[3-(dimethylamino)propyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80777165
3-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanamide
CID 80905968
4-[[4-(ethylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 106846977
N-tert-butyl-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80920133
2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]ethylurea
CID 83117573
N-butan-2-yl-N-ethyl-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80894423
N-(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 80943903
1-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-ol
CID 80915056
4-hydrazinyl-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80944783
2-N-[2-[ethyl(methyl)amino]ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80832721

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)propane-1,3-diamine (CID 80938206) is N',N'-diethyl-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)propane-1,3-diamine is CCN(CC)CCCNc1nc(NN)nc(OC(C)C)n1.
What is the InChIKey of N',N'-diethyl-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)propane-1,3-diamine?
The InChIKey is RHVVNWOFHAMXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N7O/c1-5-20(6-2)9-7-8-15-11-16-12(19-14)18-13(17-11)21-10(3)4/h10H,5-9,14H2,1-4H3,(H2,15,16,17,18,19).
What are the key properties of N',N'-diethyl-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)propane-1,3-diamine?
N',N'-diethyl-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)propane-1,3-diamine has a molecular weight of 297.41 g/mol, XLogP of 1.09, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)propane-1,3-diamine is sourced from PubChem (CID 80938206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).