4-cyclopropyl-N,3-dimethylbut-3-en-2-amine

C9H17N — CID 103093078

IUPAC4-cyclopropyl-N,3-dimethylbut-3-en-2-amine
SMILESCNC(C)C(C)=CC1CC1
InChIInChI=1S/C9H17N/c1-7(8(2)10-3)6-9-4-5-9/h6,8-10H,4-5H2,1-3H3
InChIKeyICCUJCIWQWYUIJ-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.95
Rot. Bonds3

About 4-cyclopropyl-N,3-dimethylbut-3-en-2-amine

4-cyclopropyl-N,3-dimethylbut-3-en-2-amine (PubChem CID 103093078) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 4-cyclopropyl-N,3-dimethylbut-3-en-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-N,3-dimethylbut-3-en-2-amine
PubChem CID103093078
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name4-cyclopropyl-N,3-dimethylbut-3-en-2-amine
SMILESCNC(C)C(C)=CC1CC1
InChIInChI=1S/C9H17N/c1-7(8(2)10-3)6-9-4-5-9/h6,8-10H,4-5H2,1-3H3
InChIKeyICCUJCIWQWYUIJ-UHFFFAOYSA-N
XLogP1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
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 4-cyclopropyl-N,3-dimethylbut-3-en-2-amine?
The IUPAC name of 4-cyclopropyl-N,3-dimethylbut-3-en-2-amine (CID 103093078) is 4-cyclopropyl-N,3-dimethylbut-3-en-2-amine.
What is the SMILES notation for 4-cyclopropyl-N,3-dimethylbut-3-en-2-amine?
The canonical SMILES for 4-cyclopropyl-N,3-dimethylbut-3-en-2-amine is CNC(C)C(C)=CC1CC1.
What is the InChIKey of 4-cyclopropyl-N,3-dimethylbut-3-en-2-amine?
The InChIKey is ICCUJCIWQWYUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-7(8(2)10-3)6-9-4-5-9/h6,8-10H,4-5H2,1-3H3.
What are the key properties of 4-cyclopropyl-N,3-dimethylbut-3-en-2-amine?
4-cyclopropyl-N,3-dimethylbut-3-en-2-amine has a molecular weight of 139.24 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N,3-dimethylbut-3-en-2-amine is sourced from PubChem (CID 103093078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).