N,N-diethyl-3-hydrazinyl-5-methylideneheptan-1-amine

C12H27N3 — CID 105244198

IUPACN,N-diethyl-3-hydrazinyl-5-methylideneheptan-1-amine
SMILESC=C(CC)CC(CCN(CC)CC)NN
InChIInChI=1S/C12H27N3/c1-5-11(4)10-12(14-13)8-9-15(6-2)7-3/h12,14H,4-10,13H2,1-3H3
InChIKeyCEJXFXJNLMPFMP-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.91
Rot. Bonds9

About N,N-diethyl-3-hydrazinyl-5-methylideneheptan-1-amine

N,N-diethyl-3-hydrazinyl-5-methylideneheptan-1-amine (PubChem CID 105244198) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N,N-diethyl-3-hydrazinyl-5-methylideneheptan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-hydrazinyl-5-methylideneheptan-1-amine
PubChem CID105244198
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN,N-diethyl-3-hydrazinyl-5-methylideneheptan-1-amine
SMILESC=C(CC)CC(CCN(CC)CC)NN
InChIInChI=1S/C12H27N3/c1-5-11(4)10-12(14-13)8-9-15(6-2)7-3/h12,14H,4-10,13H2,1-3H3
InChIKeyCEJXFXJNLMPFMP-UHFFFAOYSA-N
XLogP1.91
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.91
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'}

Analyze N,N-diethyl-3-hydrazinyl-5-methylideneheptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,1-N-diethyl-5-methylideneheptane-1,3-diamine
CID 79087611
1-N,1-N,3-N-triethyl-5-methylideneheptane-1,3-diamine
CID 79087731
1-N,1-N-diethyl-3-N-methyl-5-methylideneheptane-1,3-diamine
CID 79087908
1-N,1-N-diethyl-5-methylhex-5-ene-1,3-diamine
CID 79185738
6-Methylhept-6-en-3-ylhydrazine
CID 105200997
5-Methylideneheptan-3-ylhydrazine
CID 105201126
7-Methyloct-7-en-4-ylhydrazine
CID 105202116
2-Methylhept-1-en-4-ylhydrazine
CID 105202257
6-Methylideneoctan-4-ylhydrazine
CID 105202265
3-hydrazinyl-N,N,2,6-tetramethylhept-6-en-2-amine
CID 105238939
3-hydrazinyl-N,N,2,5-tetramethylhex-5-en-2-amine
CID 105239086
3-hydrazinyl-N,N,2-trimethyl-5-methylideneheptan-2-amine
CID 105239093

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-hydrazinyl-5-methylideneheptan-1-amine?
The IUPAC name of N,N-diethyl-3-hydrazinyl-5-methylideneheptan-1-amine (CID 105244198) is N,N-diethyl-3-hydrazinyl-5-methylideneheptan-1-amine.
What is the SMILES notation for N,N-diethyl-3-hydrazinyl-5-methylideneheptan-1-amine?
The canonical SMILES for N,N-diethyl-3-hydrazinyl-5-methylideneheptan-1-amine is C=C(CC)CC(CCN(CC)CC)NN.
What is the InChIKey of N,N-diethyl-3-hydrazinyl-5-methylideneheptan-1-amine?
The InChIKey is CEJXFXJNLMPFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-5-11(4)10-12(14-13)8-9-15(6-2)7-3/h12,14H,4-10,13H2,1-3H3.
What are the key properties of N,N-diethyl-3-hydrazinyl-5-methylideneheptan-1-amine?
N,N-diethyl-3-hydrazinyl-5-methylideneheptan-1-amine has a molecular weight of 213.37 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-hydrazinyl-5-methylideneheptan-1-amine is sourced from PubChem (CID 105244198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).