N,N-diethylpenta-3,4-dien-2-amine

C9H17N — CID 57131566

IUPACN,N-diethylpenta-3,4-dien-2-amine
SMILESC=C=CC(C)N(CC)CC
InChIInChI=1S/C9H17N/c1-5-8-9(4)10(6-2)7-3/h8-9H,1,6-7H2,2-4H3
InChIKeyCZVYAQZBCWRJSR-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.06
Rot. Bonds4

About N,N-diethylpenta-3,4-dien-2-amine

N,N-diethylpenta-3,4-dien-2-amine (PubChem CID 57131566) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N,N-diethylpenta-3,4-dien-2-amine.

Molecular Properties

Compound NameN,N-diethylpenta-3,4-dien-2-amine
PubChem CID57131566
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN,N-diethylpenta-3,4-dien-2-amine
SMILESC=C=CC(C)N(CC)CC
InChIInChI=1S/C9H17N/c1-5-8-9(4)10(6-2)7-3/h8-9H,1,6-7H2,2-4H3
InChIKeyCZVYAQZBCWRJSR-UHFFFAOYSA-N
XLogP2.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylpenta-3,4-dien-2-amine?
The IUPAC name of N,N-diethylpenta-3,4-dien-2-amine (CID 57131566) is N,N-diethylpenta-3,4-dien-2-amine.
What is the SMILES notation for N,N-diethylpenta-3,4-dien-2-amine?
The canonical SMILES for N,N-diethylpenta-3,4-dien-2-amine is C=C=CC(C)N(CC)CC.
What is the InChIKey of N,N-diethylpenta-3,4-dien-2-amine?
The InChIKey is CZVYAQZBCWRJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-5-8-9(4)10(6-2)7-3/h8-9H,1,6-7H2,2-4H3.
What are the key properties of N,N-diethylpenta-3,4-dien-2-amine?
N,N-diethylpenta-3,4-dien-2-amine has a molecular weight of 139.24 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylpenta-3,4-dien-2-amine is sourced from PubChem (CID 57131566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).