N,N-diethylpent-4-en-1-amine

C9H19N — CID 559585

IUPACN,N-diethylpent-4-en-1-amine
SMILESC=CCCCN(CC)CC
InChIInChI=1S/C9H19N/c1-4-7-8-9-10(5-2)6-3/h4H,1,5-9H2,2-3H3
InChIKeyLADWJVRVWWFPKV-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.29
Rot. Bonds6

About N,N-diethylpent-4-en-1-amine

N,N-diethylpent-4-en-1-amine (PubChem CID 559585) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N,N-diethylpent-4-en-1-amine.

Molecular Properties

Compound NameN,N-diethylpent-4-en-1-amine
PubChem CID559585
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN,N-diethylpent-4-en-1-amine
SMILESC=CCCCN(CC)CC
InChIInChI=1S/C9H19N/c1-4-7-8-9-10(5-2)6-3/h4H,1,5-9H2,2-3H3
InChIKeyLADWJVRVWWFPKV-UHFFFAOYSA-N
XLogP2.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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,N-diethylpent-4-en-1-amine?
The IUPAC name of N,N-diethylpent-4-en-1-amine (CID 559585) is N,N-diethylpent-4-en-1-amine.
What is the SMILES notation for N,N-diethylpent-4-en-1-amine?
The canonical SMILES for N,N-diethylpent-4-en-1-amine is C=CCCCN(CC)CC.
What is the InChIKey of N,N-diethylpent-4-en-1-amine?
The InChIKey is LADWJVRVWWFPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-4-7-8-9-10(5-2)6-3/h4H,1,5-9H2,2-3H3.
What are the key properties of N,N-diethylpent-4-en-1-amine?
N,N-diethylpent-4-en-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylpent-4-en-1-amine is sourced from PubChem (CID 559585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).