4-[4-(4-aminobutyl)phenyl]butan-1-amine

C14H24N2 — CID 13016028

IUPAC4-[4-(4-aminobutyl)phenyl]butan-1-amine
SMILESNCCCCc1ccc(CCCCN)cc1
InChIInChI=1S/C14H24N2/c15-11-3-1-5-13-7-9-14(10-8-13)6-2-4-12-16/h7-10H,1-6,11-12,15-16H2
InChIKeyPCOZKYBYYYCELE-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.25
Rot. Bonds8

About 4-[4-(4-aminobutyl)phenyl]butan-1-amine

4-[4-(4-aminobutyl)phenyl]butan-1-amine (PubChem CID 13016028) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-[4-(4-aminobutyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name4-[4-(4-aminobutyl)phenyl]butan-1-amine
PubChem CID13016028
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-[4-(4-aminobutyl)phenyl]butan-1-amine
SMILESNCCCCc1ccc(CCCCN)cc1
InChIInChI=1S/C14H24N2/c15-11-3-1-5-13-7-9-14(10-8-13)6-2-4-12-16/h7-10H,1-6,11-12,15-16H2
InChIKeyPCOZKYBYYYCELE-UHFFFAOYSA-N
XLogP2.25
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
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 4-[4-(4-aminobutyl)phenyl]butan-1-amine?
The IUPAC name of 4-[4-(4-aminobutyl)phenyl]butan-1-amine (CID 13016028) is 4-[4-(4-aminobutyl)phenyl]butan-1-amine.
What is the SMILES notation for 4-[4-(4-aminobutyl)phenyl]butan-1-amine?
The canonical SMILES for 4-[4-(4-aminobutyl)phenyl]butan-1-amine is NCCCCc1ccc(CCCCN)cc1.
What is the InChIKey of 4-[4-(4-aminobutyl)phenyl]butan-1-amine?
The InChIKey is PCOZKYBYYYCELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c15-11-3-1-5-13-7-9-14(10-8-13)6-2-4-12-16/h7-10H,1-6,11-12,15-16H2.
What are the key properties of 4-[4-(4-aminobutyl)phenyl]butan-1-amine?
4-[4-(4-aminobutyl)phenyl]butan-1-amine has a molecular weight of 220.36 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-aminobutyl)phenyl]butan-1-amine is sourced from PubChem (CID 13016028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).