N-[1-(ethylideneamino)but-3-enyl]pentan-1-amine

C11H22N2 — CID 90931769

IUPACN-[1-(ethylideneamino)but-3-enyl]pentan-1-amine
SMILESC=CCC(N=CC)NCCCCC
InChIInChI=1S/C11H22N2/c1-4-7-8-10-13-11(9-5-2)12-6-3/h5-6,11,13H,2,4,7-10H2,1,3H3
InChIKeyBIJLYKIAOHQNBC-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.76
Rot. Bonds8

About N-[1-(ethylideneamino)but-3-enyl]pentan-1-amine

N-[1-(ethylideneamino)but-3-enyl]pentan-1-amine (PubChem CID 90931769) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-[1-(ethylideneamino)but-3-enyl]pentan-1-amine.

Molecular Properties

Compound NameN-[1-(ethylideneamino)but-3-enyl]pentan-1-amine
PubChem CID90931769
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-[1-(ethylideneamino)but-3-enyl]pentan-1-amine
SMILESC=CCC(N=CC)NCCCCC
InChIInChI=1S/C11H22N2/c1-4-7-8-10-13-11(9-5-2)12-6-3/h5-6,11,13H,2,4,7-10H2,1,3H3
InChIKeyBIJLYKIAOHQNBC-UHFFFAOYSA-N
XLogP2.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(ethylideneamino)but-3-enyl]pentan-1-amine?
The IUPAC name of N-[1-(ethylideneamino)but-3-enyl]pentan-1-amine (CID 90931769) is N-[1-(ethylideneamino)but-3-enyl]pentan-1-amine.
What is the SMILES notation for N-[1-(ethylideneamino)but-3-enyl]pentan-1-amine?
The canonical SMILES for N-[1-(ethylideneamino)but-3-enyl]pentan-1-amine is C=CCC(N=CC)NCCCCC.
What is the InChIKey of N-[1-(ethylideneamino)but-3-enyl]pentan-1-amine?
The InChIKey is BIJLYKIAOHQNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-7-8-10-13-11(9-5-2)12-6-3/h5-6,11,13H,2,4,7-10H2,1,3H3.
What are the key properties of N-[1-(ethylideneamino)but-3-enyl]pentan-1-amine?
N-[1-(ethylideneamino)but-3-enyl]pentan-1-amine has a molecular weight of 182.31 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethylideneamino)but-3-enyl]pentan-1-amine is sourced from PubChem (CID 90931769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).