N,N,3-triethyl-2-hydrazinyl-1-(4-iodophenyl)pentan-3-amine

C17H30IN3 — CID 105241983

IUPACN,N,3-triethyl-2-hydrazinyl-1-(4-iodophenyl)pentan-3-amine
SMILESCCN(CC)C(CC)(CC)C(Cc1ccc(I)cc1)NN
InChIInChI=1S/C17H30IN3/c1-5-17(6-2,21(7-3)8-4)16(20-19)13-14-9-11-15(18)12-10-14/h9-12,16,20H,5-8,13,19H2,1-4H3
InChIKeyQAYHEZGJMKCHDG-UHFFFAOYSA-N
MW403.35 g/mol
LogP3.57
Rot. Bonds9

About N,N,3-triethyl-2-hydrazinyl-1-(4-iodophenyl)pentan-3-amine

N,N,3-triethyl-2-hydrazinyl-1-(4-iodophenyl)pentan-3-amine (PubChem CID 105241983) has the molecular formula C17H30IN3 and a molecular weight of 403.35 g/mol. Its IUPAC name is N,N,3-triethyl-2-hydrazinyl-1-(4-iodophenyl)pentan-3-amine.

Molecular Properties

Compound NameN,N,3-triethyl-2-hydrazinyl-1-(4-iodophenyl)pentan-3-amine
PubChem CID105241983
Molecular FormulaC17H30IN3
Molecular Weight403.35 g/mol
Exact Mass403.15
IUPAC NameN,N,3-triethyl-2-hydrazinyl-1-(4-iodophenyl)pentan-3-amine
SMILESCCN(CC)C(CC)(CC)C(Cc1ccc(I)cc1)NN
InChIInChI=1S/C17H30IN3/c1-5-17(6-2,21(7-3)8-4)16(20-19)13-14-9-11-15(18)12-10-14/h9-12,16,20H,5-8,13,19H2,1-4H3
InChIKeyQAYHEZGJMKCHDG-UHFFFAOYSA-N
XLogP3.57
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.35
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N,3-triethyl-2-hydrazinyl-1-(4-methylphenyl)pentan-3-amine
CID 105242041
2-hydrazinyl-1-(4-iodophenyl)-N,N,3-trimethylpentan-3-amine
CID 105240562
4-[3-(diethylamino)-3-ethyl-2-hydrazinylpentyl]pyridin-2-amine
CID 105241990
[1,1,1-trifluoro-3-(4-iodophenyl)propan-2-yl]hydrazine
CID 105215678
1-(3,4-dimethylphenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
CID 105240894
N,N-diethyl-3-hydrazinyl-2-methyl-4-(4-propan-2-ylphenyl)butan-2-amine
CID 105239157
N,N,3-triethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-2-hydrazinylpentan-3-amine
CID 105242029
3-(diethylamino)-1-(4-iodophenyl)-3-methylbutan-2-ol
CID 79052754
[3-(azepan-1-yl)-1-(4-iodophenyl)-3-methylbutan-2-yl]hydrazine
CID 105240327
[1,1-difluoro-3-(4-iodophenyl)propan-2-yl]hydrazine
CID 105265085
1-(4-iodophenyl)-N,3,3-trimethylbutan-2-amine
CID 65478318
[4,4,4-trifluoro-1-(4-iodophenyl)butan-2-yl]hydrazine
CID 105205984

Frequently Asked Questions

What is the IUPAC name of N,N,3-triethyl-2-hydrazinyl-1-(4-iodophenyl)pentan-3-amine?
The IUPAC name of N,N,3-triethyl-2-hydrazinyl-1-(4-iodophenyl)pentan-3-amine (CID 105241983) is N,N,3-triethyl-2-hydrazinyl-1-(4-iodophenyl)pentan-3-amine.
What is the SMILES notation for N,N,3-triethyl-2-hydrazinyl-1-(4-iodophenyl)pentan-3-amine?
The canonical SMILES for N,N,3-triethyl-2-hydrazinyl-1-(4-iodophenyl)pentan-3-amine is CCN(CC)C(CC)(CC)C(Cc1ccc(I)cc1)NN.
What is the InChIKey of N,N,3-triethyl-2-hydrazinyl-1-(4-iodophenyl)pentan-3-amine?
The InChIKey is QAYHEZGJMKCHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30IN3/c1-5-17(6-2,21(7-3)8-4)16(20-19)13-14-9-11-15(18)12-10-14/h9-12,16,20H,5-8,13,19H2,1-4H3.
What are the key properties of N,N,3-triethyl-2-hydrazinyl-1-(4-iodophenyl)pentan-3-amine?
N,N,3-triethyl-2-hydrazinyl-1-(4-iodophenyl)pentan-3-amine has a molecular weight of 403.35 g/mol, XLogP of 3.57, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-triethyl-2-hydrazinyl-1-(4-iodophenyl)pentan-3-amine is sourced from PubChem (CID 105241983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).