N,2-dimethyl-N-prop-2-enylprop-1-en-1-amine

C8H15N — CID 45087234

IUPACN,2-dimethyl-N-prop-2-enylprop-1-en-1-amine
SMILESC=CCN(C)C=C(C)C
InChIInChI=1S/C8H15N/c1-5-6-9(4)7-8(2)3/h5,7H,1,6H2,2-4H3
InChIKeyNXTSRRNFAIAHCM-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.03
Rot. Bonds3

About N,2-dimethyl-N-prop-2-enylprop-1-en-1-amine

N,2-dimethyl-N-prop-2-enylprop-1-en-1-amine (PubChem CID 45087234) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N,2-dimethyl-N-prop-2-enylprop-1-en-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-prop-2-enylprop-1-en-1-amine
PubChem CID45087234
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN,2-dimethyl-N-prop-2-enylprop-1-en-1-amine
SMILESC=CCN(C)C=C(C)C
InChIInChI=1S/C8H15N/c1-5-6-9(4)7-8(2)3/h5,7H,1,6H2,2-4H3
InChIKeyNXTSRRNFAIAHCM-UHFFFAOYSA-N
XLogP2.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 138858
CID 138858
CID 53866969
CID 53866969
CID 72832983
CID 72832983
CID 12779716
CID 12779716
CID 15063975
CID 15063975
CID 134932254
CID 134932254
CID 10997220
CID 10997220
CID 11389389
CID 11389389
CID 11400805
CID 11400805
CID 11434984
CID 11434984
CID 13978836
CID 13978836
CID 20138684
CID 20138684

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-prop-2-enylprop-1-en-1-amine?
The IUPAC name of N,2-dimethyl-N-prop-2-enylprop-1-en-1-amine (CID 45087234) is N,2-dimethyl-N-prop-2-enylprop-1-en-1-amine.
What is the SMILES notation for N,2-dimethyl-N-prop-2-enylprop-1-en-1-amine?
The canonical SMILES for N,2-dimethyl-N-prop-2-enylprop-1-en-1-amine is C=CCN(C)C=C(C)C.
What is the InChIKey of N,2-dimethyl-N-prop-2-enylprop-1-en-1-amine?
The InChIKey is NXTSRRNFAIAHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-5-6-9(4)7-8(2)3/h5,7H,1,6H2,2-4H3.
What are the key properties of N,2-dimethyl-N-prop-2-enylprop-1-en-1-amine?
N,2-dimethyl-N-prop-2-enylprop-1-en-1-amine has a molecular weight of 125.21 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-prop-2-enylprop-1-en-1-amine is sourced from PubChem (CID 45087234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).