N-butyl-7-(5-ethyl-2-methylideneimidazolidin-4-yl)oct-1-en-2-amine

C18H35N3 — CID 146243386

IUPACN-butyl-7-(5-ethyl-2-methylideneimidazolidin-4-yl)oct-1-en-2-amine
SMILESC=C(CCCCC(C)C1NC(=C)NC1CC)NCCCC
InChIInChI=1S/C18H35N3/c1-6-8-13-19-15(4)12-10-9-11-14(3)18-17(7-2)20-16(5)21-18/h14,17-21H,4-13H2,1-3H3
InChIKeyALVCQAPDMZEPKQ-UHFFFAOYSA-N
MW293.50 g/mol
LogP3.90
Rot. Bonds11

About N-butyl-7-(5-ethyl-2-methylideneimidazolidin-4-yl)oct-1-en-2-amine

N-butyl-7-(5-ethyl-2-methylideneimidazolidin-4-yl)oct-1-en-2-amine (PubChem CID 146243386) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is N-butyl-7-(5-ethyl-2-methylideneimidazolidin-4-yl)oct-1-en-2-amine.

Molecular Properties

Compound NameN-butyl-7-(5-ethyl-2-methylideneimidazolidin-4-yl)oct-1-en-2-amine
PubChem CID146243386
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC NameN-butyl-7-(5-ethyl-2-methylideneimidazolidin-4-yl)oct-1-en-2-amine
SMILESC=C(CCCCC(C)C1NC(=C)NC1CC)NCCCC
InChIInChI=1S/C18H35N3/c1-6-8-13-19-15(4)12-10-9-11-14(3)18-17(7-2)20-16(5)21-18/h14,17-21H,4-13H2,1-3H3
InChIKeyALVCQAPDMZEPKQ-UHFFFAOYSA-N
XLogP3.90
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-7-(5-ethyl-2-methylideneimidazolidin-4-yl)oct-1-en-2-amine?
The IUPAC name of N-butyl-7-(5-ethyl-2-methylideneimidazolidin-4-yl)oct-1-en-2-amine (CID 146243386) is N-butyl-7-(5-ethyl-2-methylideneimidazolidin-4-yl)oct-1-en-2-amine.
What is the SMILES notation for N-butyl-7-(5-ethyl-2-methylideneimidazolidin-4-yl)oct-1-en-2-amine?
The canonical SMILES for N-butyl-7-(5-ethyl-2-methylideneimidazolidin-4-yl)oct-1-en-2-amine is C=C(CCCCC(C)C1NC(=C)NC1CC)NCCCC.
What is the InChIKey of N-butyl-7-(5-ethyl-2-methylideneimidazolidin-4-yl)oct-1-en-2-amine?
The InChIKey is ALVCQAPDMZEPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-6-8-13-19-15(4)12-10-9-11-14(3)18-17(7-2)20-16(5)21-18/h14,17-21H,4-13H2,1-3H3.
What are the key properties of N-butyl-7-(5-ethyl-2-methylideneimidazolidin-4-yl)oct-1-en-2-amine?
N-butyl-7-(5-ethyl-2-methylideneimidazolidin-4-yl)oct-1-en-2-amine has a molecular weight of 293.50 g/mol, XLogP of 3.90, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-7-(5-ethyl-2-methylideneimidazolidin-4-yl)oct-1-en-2-amine is sourced from PubChem (CID 146243386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).