10-cyclohepta-2,4,6-trien-1-yl-1-(2-methylhydrazinyl)decan-4-amine

C18H33N3 — CID 143682888

IUPAC10-cyclohepta-2,4,6-trien-1-yl-1-(2-methylhydrazinyl)decan-4-amine
SMILESCNNCCCC(N)CCCCCCC1C=CC=CC=C1
InChIInChI=1S/C18H33N3/c1-20-21-16-10-15-18(19)14-9-5-4-8-13-17-11-6-2-3-7-12-17/h2-3,6-7,11-12,17-18,20-21H,4-5,8-10,13-16,19H2,1H3
InChIKeyWHBNGBXMOJDNMI-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.46
Rot. Bonds12

About 10-cyclohepta-2,4,6-trien-1-yl-1-(2-methylhydrazinyl)decan-4-amine

10-cyclohepta-2,4,6-trien-1-yl-1-(2-methylhydrazinyl)decan-4-amine (PubChem CID 143682888) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 10-cyclohepta-2,4,6-trien-1-yl-1-(2-methylhydrazinyl)decan-4-amine.

Molecular Properties

Compound Name10-cyclohepta-2,4,6-trien-1-yl-1-(2-methylhydrazinyl)decan-4-amine
PubChem CID143682888
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name10-cyclohepta-2,4,6-trien-1-yl-1-(2-methylhydrazinyl)decan-4-amine
SMILESCNNCCCC(N)CCCCCCC1C=CC=CC=C1
InChIInChI=1S/C18H33N3/c1-20-21-16-10-15-18(19)14-9-5-4-8-13-17-11-6-2-3-7-12-17/h2-3,6-7,11-12,17-18,20-21H,4-5,8-10,13-16,19H2,1H3
InChIKeyWHBNGBXMOJDNMI-UHFFFAOYSA-N
XLogP3.46
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-cyclohepta-2,4,6-trien-1-yl-1-(2-methylhydrazinyl)decan-4-amine?
The IUPAC name of 10-cyclohepta-2,4,6-trien-1-yl-1-(2-methylhydrazinyl)decan-4-amine (CID 143682888) is 10-cyclohepta-2,4,6-trien-1-yl-1-(2-methylhydrazinyl)decan-4-amine.
What is the SMILES notation for 10-cyclohepta-2,4,6-trien-1-yl-1-(2-methylhydrazinyl)decan-4-amine?
The canonical SMILES for 10-cyclohepta-2,4,6-trien-1-yl-1-(2-methylhydrazinyl)decan-4-amine is CNNCCCC(N)CCCCCCC1C=CC=CC=C1.
What is the InChIKey of 10-cyclohepta-2,4,6-trien-1-yl-1-(2-methylhydrazinyl)decan-4-amine?
The InChIKey is WHBNGBXMOJDNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-20-21-16-10-15-18(19)14-9-5-4-8-13-17-11-6-2-3-7-12-17/h2-3,6-7,11-12,17-18,20-21H,4-5,8-10,13-16,19H2,1H3.
What are the key properties of 10-cyclohepta-2,4,6-trien-1-yl-1-(2-methylhydrazinyl)decan-4-amine?
10-cyclohepta-2,4,6-trien-1-yl-1-(2-methylhydrazinyl)decan-4-amine has a molecular weight of 291.48 g/mol, XLogP of 3.46, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclohepta-2,4,6-trien-1-yl-1-(2-methylhydrazinyl)decan-4-amine is sourced from PubChem (CID 143682888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).