4-(cyclopentylidenemethyl)-1-N,1-N'-diethylcyclohexa-2,4-diene-1,1-diamine

C16H26N2 — CID 150774850

IUPAC4-(cyclopentylidenemethyl)-1-N,1-N'-diethylcyclohexa-2,4-diene-1,1-diamine
SMILESCCNC1(NCC)C=CC(C=C2CCCC2)=CC1
InChIInChI=1S/C16H26N2/c1-3-17-16(18-4-2)11-9-15(10-12-16)13-14-7-5-6-8-14/h9-11,13,17-18H,3-8,12H2,1-2H3
InChIKeyKAQMQXUFCUOHGC-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.29
Rot. Bonds5

About 4-(cyclopentylidenemethyl)-1-N,1-N'-diethylcyclohexa-2,4-diene-1,1-diamine

4-(cyclopentylidenemethyl)-1-N,1-N'-diethylcyclohexa-2,4-diene-1,1-diamine (PubChem CID 150774850) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-(cyclopentylidenemethyl)-1-N,1-N'-diethylcyclohexa-2,4-diene-1,1-diamine.

Molecular Properties

Compound Name4-(cyclopentylidenemethyl)-1-N,1-N'-diethylcyclohexa-2,4-diene-1,1-diamine
PubChem CID150774850
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-(cyclopentylidenemethyl)-1-N,1-N'-diethylcyclohexa-2,4-diene-1,1-diamine
SMILESCCNC1(NCC)C=CC(C=C2CCCC2)=CC1
InChIInChI=1S/C16H26N2/c1-3-17-16(18-4-2)11-9-15(10-12-16)13-14-7-5-6-8-14/h9-11,13,17-18H,3-8,12H2,1-2H3
InChIKeyKAQMQXUFCUOHGC-UHFFFAOYSA-N
XLogP3.29
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylidenemethyl)-1-N,1-N'-diethylcyclohexa-2,4-diene-1,1-diamine?
The IUPAC name of 4-(cyclopentylidenemethyl)-1-N,1-N'-diethylcyclohexa-2,4-diene-1,1-diamine (CID 150774850) is 4-(cyclopentylidenemethyl)-1-N,1-N'-diethylcyclohexa-2,4-diene-1,1-diamine.
What is the SMILES notation for 4-(cyclopentylidenemethyl)-1-N,1-N'-diethylcyclohexa-2,4-diene-1,1-diamine?
The canonical SMILES for 4-(cyclopentylidenemethyl)-1-N,1-N'-diethylcyclohexa-2,4-diene-1,1-diamine is CCNC1(NCC)C=CC(C=C2CCCC2)=CC1.
What is the InChIKey of 4-(cyclopentylidenemethyl)-1-N,1-N'-diethylcyclohexa-2,4-diene-1,1-diamine?
The InChIKey is KAQMQXUFCUOHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-17-16(18-4-2)11-9-15(10-12-16)13-14-7-5-6-8-14/h9-11,13,17-18H,3-8,12H2,1-2H3.
What are the key properties of 4-(cyclopentylidenemethyl)-1-N,1-N'-diethylcyclohexa-2,4-diene-1,1-diamine?
4-(cyclopentylidenemethyl)-1-N,1-N'-diethylcyclohexa-2,4-diene-1,1-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylidenemethyl)-1-N,1-N'-diethylcyclohexa-2,4-diene-1,1-diamine is sourced from PubChem (CID 150774850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).