N-ethyl-2-ethylidene-N-propylpent-3-en-1-amine

C12H23N — CID 90872388

IUPACN-ethyl-2-ethylidene-N-propylpent-3-en-1-amine
SMILESCC=CC(=CC)CN(CC)CCC
InChIInChI=1S/C12H23N/c1-5-9-12(7-3)11-13(8-4)10-6-2/h5,7,9H,6,8,10-11H2,1-4H3
InChIKeyNGCDVFBFFLZODS-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.24
Rot. Bonds6

About N-ethyl-2-ethylidene-N-propylpent-3-en-1-amine

N-ethyl-2-ethylidene-N-propylpent-3-en-1-amine (PubChem CID 90872388) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-ethyl-2-ethylidene-N-propylpent-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-ethylidene-N-propylpent-3-en-1-amine
PubChem CID90872388
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-ethyl-2-ethylidene-N-propylpent-3-en-1-amine
SMILESCC=CC(=CC)CN(CC)CCC
InChIInChI=1S/C12H23N/c1-5-9-12(7-3)11-13(8-4)10-6-2/h5,7,9H,6,8,10-11H2,1-4H3
InChIKeyNGCDVFBFFLZODS-UHFFFAOYSA-N
XLogP3.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-ethylidene-N-propylpent-3-en-1-amine?
The IUPAC name of N-ethyl-2-ethylidene-N-propylpent-3-en-1-amine (CID 90872388) is N-ethyl-2-ethylidene-N-propylpent-3-en-1-amine.
What is the SMILES notation for N-ethyl-2-ethylidene-N-propylpent-3-en-1-amine?
The canonical SMILES for N-ethyl-2-ethylidene-N-propylpent-3-en-1-amine is CC=CC(=CC)CN(CC)CCC.
What is the InChIKey of N-ethyl-2-ethylidene-N-propylpent-3-en-1-amine?
The InChIKey is NGCDVFBFFLZODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-5-9-12(7-3)11-13(8-4)10-6-2/h5,7,9H,6,8,10-11H2,1-4H3.
What are the key properties of N-ethyl-2-ethylidene-N-propylpent-3-en-1-amine?
N-ethyl-2-ethylidene-N-propylpent-3-en-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-ethylidene-N-propylpent-3-en-1-amine is sourced from PubChem (CID 90872388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).