N-methyl-N-propylhexa-1,4-dien-1-amine

C10H19N — CID 123291766

IUPACN-methyl-N-propylhexa-1,4-dien-1-amine
SMILESCC=CCC=CN(C)CCC
InChIInChI=1S/C10H19N/c1-4-6-7-8-10-11(3)9-5-2/h4,6,8,10H,5,7,9H2,1-3H3
InChIKeyDAQFBTQVBIHMSO-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.81
Rot. Bonds5

About N-methyl-N-propylhexa-1,4-dien-1-amine

N-methyl-N-propylhexa-1,4-dien-1-amine (PubChem CID 123291766) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-methyl-N-propylhexa-1,4-dien-1-amine.

Molecular Properties

Compound NameN-methyl-N-propylhexa-1,4-dien-1-amine
PubChem CID123291766
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-methyl-N-propylhexa-1,4-dien-1-amine
SMILESCC=CCC=CN(C)CCC
InChIInChI=1S/C10H19N/c1-4-6-7-8-10-11(3)9-5-2/h4,6,8,10H,5,7,9H2,1-3H3
InChIKeyDAQFBTQVBIHMSO-UHFFFAOYSA-N
XLogP2.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propylhexa-1,4-dien-1-amine?
The IUPAC name of N-methyl-N-propylhexa-1,4-dien-1-amine (CID 123291766) is N-methyl-N-propylhexa-1,4-dien-1-amine.
What is the SMILES notation for N-methyl-N-propylhexa-1,4-dien-1-amine?
The canonical SMILES for N-methyl-N-propylhexa-1,4-dien-1-amine is CC=CCC=CN(C)CCC.
What is the InChIKey of N-methyl-N-propylhexa-1,4-dien-1-amine?
The InChIKey is DAQFBTQVBIHMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-4-6-7-8-10-11(3)9-5-2/h4,6,8,10H,5,7,9H2,1-3H3.
What are the key properties of N-methyl-N-propylhexa-1,4-dien-1-amine?
N-methyl-N-propylhexa-1,4-dien-1-amine has a molecular weight of 153.27 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propylhexa-1,4-dien-1-amine is sourced from PubChem (CID 123291766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).