N-pent-1-en-2-yl-N-(2-propoxyethyl)pent-1-en-2-amine

C15H29NO — CID 20748356

IUPACN-pent-1-en-2-yl-N-(2-propoxyethyl)pent-1-en-2-amine
SMILESC=C(CCC)N(CCOCCC)C(=C)CCC
InChIInChI=1S/C15H29NO/c1-6-9-14(4)16(15(5)10-7-2)11-13-17-12-8-3/h4-13H2,1-3H3
InChIKeyHZBUKIXIWWYJKY-UHFFFAOYSA-N
MW239.40 g/mol
LogP4.34
Rot. Bonds11

About N-pent-1-en-2-yl-N-(2-propoxyethyl)pent-1-en-2-amine

N-pent-1-en-2-yl-N-(2-propoxyethyl)pent-1-en-2-amine (PubChem CID 20748356) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-pent-1-en-2-yl-N-(2-propoxyethyl)pent-1-en-2-amine.

Molecular Properties

Compound NameN-pent-1-en-2-yl-N-(2-propoxyethyl)pent-1-en-2-amine
PubChem CID20748356
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-pent-1-en-2-yl-N-(2-propoxyethyl)pent-1-en-2-amine
SMILESC=C(CCC)N(CCOCCC)C(=C)CCC
InChIInChI=1S/C15H29NO/c1-6-9-14(4)16(15(5)10-7-2)11-13-17-12-8-3/h4-13H2,1-3H3
InChIKeyHZBUKIXIWWYJKY-UHFFFAOYSA-N
XLogP4.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-pent-1-en-2-yl-N-(2-propoxyethyl)pent-1-en-2-amine?
The IUPAC name of N-pent-1-en-2-yl-N-(2-propoxyethyl)pent-1-en-2-amine (CID 20748356) is N-pent-1-en-2-yl-N-(2-propoxyethyl)pent-1-en-2-amine.
What is the SMILES notation for N-pent-1-en-2-yl-N-(2-propoxyethyl)pent-1-en-2-amine?
The canonical SMILES for N-pent-1-en-2-yl-N-(2-propoxyethyl)pent-1-en-2-amine is C=C(CCC)N(CCOCCC)C(=C)CCC.
What is the InChIKey of N-pent-1-en-2-yl-N-(2-propoxyethyl)pent-1-en-2-amine?
The InChIKey is HZBUKIXIWWYJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-6-9-14(4)16(15(5)10-7-2)11-13-17-12-8-3/h4-13H2,1-3H3.
What are the key properties of N-pent-1-en-2-yl-N-(2-propoxyethyl)pent-1-en-2-amine?
N-pent-1-en-2-yl-N-(2-propoxyethyl)pent-1-en-2-amine has a molecular weight of 239.40 g/mol, XLogP of 4.34, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-1-en-2-yl-N-(2-propoxyethyl)pent-1-en-2-amine is sourced from PubChem (CID 20748356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).