N,N-diethyl-4-hydrazinyl-3,6-dimethylhept-5-en-3-amine

C13H29N3 — CID 105240982

IUPACN,N-diethyl-4-hydrazinyl-3,6-dimethylhept-5-en-3-amine
SMILESCCN(CC)C(C)(CC)C(C=C(C)C)NN
InChIInChI=1S/C13H29N3/c1-7-13(6,16(8-2)9-3)12(15-14)10-11(4)5/h10,12,15H,7-9,14H2,1-6H3
InChIKeyUYAATQBTTJEPRQ-UHFFFAOYSA-N
MW227.40 g/mol
LogP2.30
Rot. Bonds7

About N,N-diethyl-4-hydrazinyl-3,6-dimethylhept-5-en-3-amine

N,N-diethyl-4-hydrazinyl-3,6-dimethylhept-5-en-3-amine (PubChem CID 105240982) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N,N-diethyl-4-hydrazinyl-3,6-dimethylhept-5-en-3-amine.

Molecular Properties

Compound NameN,N-diethyl-4-hydrazinyl-3,6-dimethylhept-5-en-3-amine
PubChem CID105240982
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN,N-diethyl-4-hydrazinyl-3,6-dimethylhept-5-en-3-amine
SMILESCCN(CC)C(C)(CC)C(C=C(C)C)NN
InChIInChI=1S/C13H29N3/c1-7-13(6,16(8-2)9-3)12(15-14)10-11(4)5/h10,12,15H,7-9,14H2,1-6H3
InChIKeyUYAATQBTTJEPRQ-UHFFFAOYSA-N
XLogP2.30
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-[2-hydrazinyl-1-(methylamino)ethyl]-3,6-dihydro-2H-pyridin-3-amine
CID 156302553
(Z)-3-[2-(2-ethylhydrazinyl)propan-2-yl]-N,N-dimethylpent-3-en-1-amine
CID 173987548
4-N-ethyl-3-N,3-N,3,6-tetramethylhept-5-ene-3,4-diamine
CID 79177316
3-N,3-N,3,6-tetramethyl-4-N-propylhept-5-ene-3,4-diamine
CID 79177532
3-N,3-N-diethyl-3,6-dimethylhept-5-ene-3,4-diamine
CID 79177759
3-ethyl-3-N,3-N,6-trimethylhept-5-ene-3,4-diamine
CID 79177761
3-N,3-N-diethyl-4-N,3,6-trimethylhept-5-ene-3,4-diamine
CID 79177982
3-ethyl-3-N,3-N,4-N,6-tetramethylhept-5-ene-3,4-diamine
CID 79177984
3-N,3-N,4-N-triethyl-3,6-dimethylhept-5-ene-3,4-diamine
CID 79178205
4-N,3-diethyl-3-N,3-N,6-trimethylhept-5-ene-3,4-diamine
CID 79178207
3-ethyl-3-N,3-N,6-trimethyl-4-N-propylhept-5-ene-3,4-diamine
CID 79178423
3-N,3-N,3-triethyl-6-methylhept-5-ene-3,4-diamine
CID 79178636

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-hydrazinyl-3,6-dimethylhept-5-en-3-amine?
The IUPAC name of N,N-diethyl-4-hydrazinyl-3,6-dimethylhept-5-en-3-amine (CID 105240982) is N,N-diethyl-4-hydrazinyl-3,6-dimethylhept-5-en-3-amine.
What is the SMILES notation for N,N-diethyl-4-hydrazinyl-3,6-dimethylhept-5-en-3-amine?
The canonical SMILES for N,N-diethyl-4-hydrazinyl-3,6-dimethylhept-5-en-3-amine is CCN(CC)C(C)(CC)C(C=C(C)C)NN.
What is the InChIKey of N,N-diethyl-4-hydrazinyl-3,6-dimethylhept-5-en-3-amine?
The InChIKey is UYAATQBTTJEPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-7-13(6,16(8-2)9-3)12(15-14)10-11(4)5/h10,12,15H,7-9,14H2,1-6H3.
What are the key properties of N,N-diethyl-4-hydrazinyl-3,6-dimethylhept-5-en-3-amine?
N,N-diethyl-4-hydrazinyl-3,6-dimethylhept-5-en-3-amine has a molecular weight of 227.40 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-hydrazinyl-3,6-dimethylhept-5-en-3-amine is sourced from PubChem (CID 105240982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).