N,3-dimethylpent-1-en-3-amine

C7H15N — CID 123650218

IUPACN,3-dimethylpent-1-en-3-amine
SMILESC=CC(C)(CC)NC
InChIInChI=1S/C7H15N/c1-5-7(3,6-2)8-4/h5,8H,1,6H2,2-4H3
InChIKeyONKNNGWEKXPOLN-UHFFFAOYSA-N
MW113.20 g/mol
LogP1.56
Rot. Bonds3

About N,3-dimethylpent-1-en-3-amine

N,3-dimethylpent-1-en-3-amine (PubChem CID 123650218) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is N,3-dimethylpent-1-en-3-amine.

Molecular Properties

Compound NameN,3-dimethylpent-1-en-3-amine
PubChem CID123650218
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC NameN,3-dimethylpent-1-en-3-amine
SMILESC=CC(C)(CC)NC
InChIInChI=1S/C7H15N/c1-5-7(3,6-2)8-4/h5,8H,1,6H2,2-4H3
InChIKeyONKNNGWEKXPOLN-UHFFFAOYSA-N
XLogP1.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-methylpent-1-en-3-amine
CID 55286067
N,3,5-trimethylhex-1-en-3-amine
CID 145461541
3,3-dimethylpent-1-ene;ethane
CID 142059460
2-ethyl-N,2-dimethylbut-3-enamide
CID 126994529
2-N'-methylbut-3-ene-2,2-diamine
CID 123441192
2-[acetyl(ethyl)amino]-N-(3-methylpent-1-en-3-yl)acetamide
CID 155431987
N,3,5-trimethylhept-6-en-3-amine
CID 89228225
N,2,2-trimethylbut-3-en-1-amine
CID 55288138
3,3-difluorobut-1-ene;propane
CID 143721745
N-tert-butyl-3-ethyl-4,4-dimethylpent-1-en-3-amine
CID 130291438
3,3,6,6-tetramethylocta-1,4-diene
CID 123152058
but-1-ene;3,3-dimethylpent-1-ene;ethane;ethene
CID 142056608

Frequently Asked Questions

What is the IUPAC name of N,3-dimethylpent-1-en-3-amine?
The IUPAC name of N,3-dimethylpent-1-en-3-amine (CID 123650218) is N,3-dimethylpent-1-en-3-amine.
What is the SMILES notation for N,3-dimethylpent-1-en-3-amine?
The canonical SMILES for N,3-dimethylpent-1-en-3-amine is C=CC(C)(CC)NC.
What is the InChIKey of N,3-dimethylpent-1-en-3-amine?
The InChIKey is ONKNNGWEKXPOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N/c1-5-7(3,6-2)8-4/h5,8H,1,6H2,2-4H3.
What are the key properties of N,3-dimethylpent-1-en-3-amine?
N,3-dimethylpent-1-en-3-amine has a molecular weight of 113.20 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylpent-1-en-3-amine is sourced from PubChem (CID 123650218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).