N-ethyl-5-(ethylaminomethyl)cyclopenta-1,4-dien-1-amine

C10H18N2 — CID 89205989

IUPACN-ethyl-5-(ethylaminomethyl)cyclopenta-1,4-dien-1-amine
SMILESCCNCC1=CCC=C1NCC
InChIInChI=1S/C10H18N2/c1-3-11-8-9-6-5-7-10(9)12-4-2/h6-7,11-12H,3-5,8H2,1-2H3
InChIKeyUTZNUOVLTBLCNP-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.42
Rot. Bonds5

About N-ethyl-5-(ethylaminomethyl)cyclopenta-1,4-dien-1-amine

N-ethyl-5-(ethylaminomethyl)cyclopenta-1,4-dien-1-amine (PubChem CID 89205989) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-ethyl-5-(ethylaminomethyl)cyclopenta-1,4-dien-1-amine.

Molecular Properties

Compound NameN-ethyl-5-(ethylaminomethyl)cyclopenta-1,4-dien-1-amine
PubChem CID89205989
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-ethyl-5-(ethylaminomethyl)cyclopenta-1,4-dien-1-amine
SMILESCCNCC1=CCC=C1NCC
InChIInChI=1S/C10H18N2/c1-3-11-8-9-6-5-7-10(9)12-4-2/h6-7,11-12H,3-5,8H2,1-2H3
InChIKeyUTZNUOVLTBLCNP-UHFFFAOYSA-N
XLogP1.42
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(ethylaminomethyl)cyclopenta-1,4-dien-1-amine?
The IUPAC name of N-ethyl-5-(ethylaminomethyl)cyclopenta-1,4-dien-1-amine (CID 89205989) is N-ethyl-5-(ethylaminomethyl)cyclopenta-1,4-dien-1-amine.
What is the SMILES notation for N-ethyl-5-(ethylaminomethyl)cyclopenta-1,4-dien-1-amine?
The canonical SMILES for N-ethyl-5-(ethylaminomethyl)cyclopenta-1,4-dien-1-amine is CCNCC1=CCC=C1NCC.
What is the InChIKey of N-ethyl-5-(ethylaminomethyl)cyclopenta-1,4-dien-1-amine?
The InChIKey is UTZNUOVLTBLCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-11-8-9-6-5-7-10(9)12-4-2/h6-7,11-12H,3-5,8H2,1-2H3.
What are the key properties of N-ethyl-5-(ethylaminomethyl)cyclopenta-1,4-dien-1-amine?
N-ethyl-5-(ethylaminomethyl)cyclopenta-1,4-dien-1-amine has a molecular weight of 166.27 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(ethylaminomethyl)cyclopenta-1,4-dien-1-amine is sourced from PubChem (CID 89205989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).