N-but-2-enyl-2-ethylpentane-1,5-diamine

C11H24N2 — CID 54182315

IUPACN-but-2-enyl-2-ethylpentane-1,5-diamine
SMILESCC=CCNCC(CC)CCCN
InChIInChI=1S/C11H24N2/c1-3-5-9-13-10-11(4-2)7-6-8-12/h3,5,11,13H,4,6-10,12H2,1-2H3
InChIKeyPCRCBFOAHJTMGA-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.92
Rot. Bonds8

About N-but-2-enyl-2-ethylpentane-1,5-diamine

N-but-2-enyl-2-ethylpentane-1,5-diamine (PubChem CID 54182315) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N-but-2-enyl-2-ethylpentane-1,5-diamine.

Molecular Properties

Compound NameN-but-2-enyl-2-ethylpentane-1,5-diamine
PubChem CID54182315
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN-but-2-enyl-2-ethylpentane-1,5-diamine
SMILESCC=CCNCC(CC)CCCN
InChIInChI=1S/C11H24N2/c1-3-5-9-13-10-11(4-2)7-6-8-12/h3,5,11,13H,4,6-10,12H2,1-2H3
InChIKeyPCRCBFOAHJTMGA-UHFFFAOYSA-N
XLogP1.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-2-enyl-2-ethylpentane-1,5-diamine?
The IUPAC name of N-but-2-enyl-2-ethylpentane-1,5-diamine (CID 54182315) is N-but-2-enyl-2-ethylpentane-1,5-diamine.
What is the SMILES notation for N-but-2-enyl-2-ethylpentane-1,5-diamine?
The canonical SMILES for N-but-2-enyl-2-ethylpentane-1,5-diamine is CC=CCNCC(CC)CCCN.
What is the InChIKey of N-but-2-enyl-2-ethylpentane-1,5-diamine?
The InChIKey is PCRCBFOAHJTMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-3-5-9-13-10-11(4-2)7-6-8-12/h3,5,11,13H,4,6-10,12H2,1-2H3.
What are the key properties of N-but-2-enyl-2-ethylpentane-1,5-diamine?
N-but-2-enyl-2-ethylpentane-1,5-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-enyl-2-ethylpentane-1,5-diamine is sourced from PubChem (CID 54182315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).