N,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine

C8H18N2 — CID 87361427

IUPACN,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine
SMILESC=CCN.C=CCN(C)C
InChIInChI=1S/C5H11N.C3H7N/c1-4-5-6(2)3;1-2-3-4/h4H,1,5H2,2-3H3;2H,1,3-4H2
InChIKeyTXNVFWWJJURORP-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.87
Rot. Bonds3

About N,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine

N,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine (PubChem CID 87361427) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine.

Molecular Properties

Compound NameN,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine
PubChem CID87361427
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine
SMILESC=CCN.C=CCN(C)C
InChIInChI=1S/C5H11N.C3H7N/c1-4-5-6(2)3;1-2-3-4/h4H,1,5H2,2-3H3;2H,1,3-4H2
InChIKeyTXNVFWWJJURORP-UHFFFAOYSA-N
XLogP0.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine?
The IUPAC name of N,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine (CID 87361427) is N,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine.
What is the SMILES notation for N,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine?
The canonical SMILES for N,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine is C=CCN.C=CCN(C)C.
What is the InChIKey of N,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine?
The InChIKey is TXNVFWWJJURORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C3H7N/c1-4-5-6(2)3;1-2-3-4/h4H,1,5H2,2-3H3;2H,1,3-4H2.
What are the key properties of N,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine?
N,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine has a molecular weight of 142.25 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine is sourced from PubChem (CID 87361427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).