N-(1-cyclopropylethenyl)-N-prop-1-en-2-ylpentan-1-amine

C13H23N — CID 89078575

IUPACN-(1-cyclopropylethenyl)-N-prop-1-en-2-ylpentan-1-amine
SMILESC=C(C)N(CCCCC)C(=C)C1CC1
InChIInChI=1S/C13H23N/c1-5-6-7-10-14(11(2)3)12(4)13-8-9-13/h13H,2,4-10H2,1,3H3
InChIKeyIAHKLCLTVKCMLS-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.94
Rot. Bonds7

About N-(1-cyclopropylethenyl)-N-prop-1-en-2-ylpentan-1-amine

N-(1-cyclopropylethenyl)-N-prop-1-en-2-ylpentan-1-amine (PubChem CID 89078575) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-(1-cyclopropylethenyl)-N-prop-1-en-2-ylpentan-1-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethenyl)-N-prop-1-en-2-ylpentan-1-amine
PubChem CID89078575
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-(1-cyclopropylethenyl)-N-prop-1-en-2-ylpentan-1-amine
SMILESC=C(C)N(CCCCC)C(=C)C1CC1
InChIInChI=1S/C13H23N/c1-5-6-7-10-14(11(2)3)12(4)13-8-9-13/h13H,2,4-10H2,1,3H3
InChIKeyIAHKLCLTVKCMLS-UHFFFAOYSA-N
XLogP3.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(1-cyclopropylethenyl)-N-prop-1-en-2-ylpentan-1-amine?
The IUPAC name of N-(1-cyclopropylethenyl)-N-prop-1-en-2-ylpentan-1-amine (CID 89078575) is N-(1-cyclopropylethenyl)-N-prop-1-en-2-ylpentan-1-amine.
What is the SMILES notation for N-(1-cyclopropylethenyl)-N-prop-1-en-2-ylpentan-1-amine?
The canonical SMILES for N-(1-cyclopropylethenyl)-N-prop-1-en-2-ylpentan-1-amine is C=C(C)N(CCCCC)C(=C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethenyl)-N-prop-1-en-2-ylpentan-1-amine?
The InChIKey is IAHKLCLTVKCMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-5-6-7-10-14(11(2)3)12(4)13-8-9-13/h13H,2,4-10H2,1,3H3.
What are the key properties of N-(1-cyclopropylethenyl)-N-prop-1-en-2-ylpentan-1-amine?
N-(1-cyclopropylethenyl)-N-prop-1-en-2-ylpentan-1-amine has a molecular weight of 193.33 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethenyl)-N-prop-1-en-2-ylpentan-1-amine is sourced from PubChem (CID 89078575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).