N,N-diethyl-4-methylpenta-1,2,3-trien-1-amine

C10H17N — CID 12779717

IUPACN,N-diethyl-4-methylpenta-1,2,3-trien-1-amine
SMILESCCN(C=C=C=C(C)C)CC
InChIInChI=1S/C10H17N/c1-5-11(6-2)9-7-8-10(3)4/h9H,5-6H2,1-4H3
InChIKeyMPSSCFNFOBYZAX-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.56
Rot. Bonds3

About N,N-diethyl-4-methylpenta-1,2,3-trien-1-amine

N,N-diethyl-4-methylpenta-1,2,3-trien-1-amine (PubChem CID 12779717) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N,N-diethyl-4-methylpenta-1,2,3-trien-1-amine.

Molecular Properties

Compound NameN,N-diethyl-4-methylpenta-1,2,3-trien-1-amine
PubChem CID12779717
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN,N-diethyl-4-methylpenta-1,2,3-trien-1-amine
SMILESCCN(C=C=C=C(C)C)CC
InChIInChI=1S/C10H17N/c1-5-11(6-2)9-7-8-10(3)4/h9H,5-6H2,1-4H3
InChIKeyMPSSCFNFOBYZAX-UHFFFAOYSA-N
XLogP2.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-methylpenta-1,2,3-trien-1-amine?
The IUPAC name of N,N-diethyl-4-methylpenta-1,2,3-trien-1-amine (CID 12779717) is N,N-diethyl-4-methylpenta-1,2,3-trien-1-amine.
What is the SMILES notation for N,N-diethyl-4-methylpenta-1,2,3-trien-1-amine?
The canonical SMILES for N,N-diethyl-4-methylpenta-1,2,3-trien-1-amine is CCN(C=C=C=C(C)C)CC.
What is the InChIKey of N,N-diethyl-4-methylpenta-1,2,3-trien-1-amine?
The InChIKey is MPSSCFNFOBYZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-5-11(6-2)9-7-8-10(3)4/h9H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-4-methylpenta-1,2,3-trien-1-amine?
N,N-diethyl-4-methylpenta-1,2,3-trien-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methylpenta-1,2,3-trien-1-amine is sourced from PubChem (CID 12779717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).