N-prop-2-enylpent-3-en-2-amine

C8H15N — CID 57273296

IUPACN-prop-2-enylpent-3-en-2-amine
SMILESC=CCNC(C)C=CC
InChIInChI=1S/C8H15N/c1-4-6-8(3)9-7-5-2/h4-6,8-9H,2,7H2,1,3H3
InChIKeyVFXRJFWAHMOZMS-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.73
Rot. Bonds4

About N-prop-2-enylpent-3-en-2-amine

N-prop-2-enylpent-3-en-2-amine (PubChem CID 57273296) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-prop-2-enylpent-3-en-2-amine.

Molecular Properties

Compound NameN-prop-2-enylpent-3-en-2-amine
PubChem CID57273296
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-prop-2-enylpent-3-en-2-amine
SMILESC=CCNC(C)C=CC
InChIInChI=1S/C8H15N/c1-4-6-8(3)9-7-5-2/h4-6,8-9H,2,7H2,1,3H3
InChIKeyVFXRJFWAHMOZMS-UHFFFAOYSA-N
XLogP1.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.73
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 N-prop-2-enylpent-3-en-2-amine?
The IUPAC name of N-prop-2-enylpent-3-en-2-amine (CID 57273296) is N-prop-2-enylpent-3-en-2-amine.
What is the SMILES notation for N-prop-2-enylpent-3-en-2-amine?
The canonical SMILES for N-prop-2-enylpent-3-en-2-amine is C=CCNC(C)C=CC.
What is the InChIKey of N-prop-2-enylpent-3-en-2-amine?
The InChIKey is VFXRJFWAHMOZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-4-6-8(3)9-7-5-2/h4-6,8-9H,2,7H2,1,3H3.
What are the key properties of N-prop-2-enylpent-3-en-2-amine?
N-prop-2-enylpent-3-en-2-amine has a molecular weight of 125.21 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylpent-3-en-2-amine is sourced from PubChem (CID 57273296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).