N-ethylbutan-1-amine

C6H15N — CID 25914

IUPACN-ethylbutan-1-amine
SMILESCCCCNCC
InChIInChI=1S/C6H15N/c1-3-5-6-7-4-2/h7H,3-6H2,1-2H3
InChIKeyQHCCDDQKNUYGNC-UHFFFAOYSA-N
MW101.19 g/mol
LogP1.40
Rot. Bonds4

About N-ethylbutan-1-amine

N-ethylbutan-1-amine (PubChem CID 25914) has the molecular formula C6H15N and a molecular weight of 101.19 g/mol. Its IUPAC name is N-ethylbutan-1-amine.

Molecular Properties

Compound NameN-ethylbutan-1-amine
PubChem CID25914
Molecular FormulaC6H15N
Molecular Weight101.19 g/mol
Exact Mass101.12
IUPAC NameN-ethylbutan-1-amine
SMILESCCCCNCC
InChIInChI=1S/C6H15N/c1-3-5-6-7-4-2/h7H,3-6H2,1-2H3
InChIKeyQHCCDDQKNUYGNC-UHFFFAOYSA-N
XLogP1.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.19
LogP ≤ 51.40
H-Bond Donors ≤ 51
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-ethylbutan-1-amine?
The IUPAC name of N-ethylbutan-1-amine (CID 25914) is N-ethylbutan-1-amine.
What is the SMILES notation for N-ethylbutan-1-amine?
The canonical SMILES for N-ethylbutan-1-amine is CCCCNCC.
What is the InChIKey of N-ethylbutan-1-amine?
The InChIKey is QHCCDDQKNUYGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N/c1-3-5-6-7-4-2/h7H,3-6H2,1-2H3.
What are the key properties of N-ethylbutan-1-amine?
N-ethylbutan-1-amine has a molecular weight of 101.19 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylbutan-1-amine is sourced from PubChem (CID 25914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).