N-prop-2-enyl-N-propylcyclopropanamine

C9H17N — CID 131003839

IUPACN-prop-2-enyl-N-propylcyclopropanamine
SMILESC=CCN(CCC)C1CC1
InChIInChI=1S/C9H17N/c1-3-7-10(8-4-2)9-5-6-9/h3,9H,1,4-8H2,2H3
InChIKeyFMICMZQOTJLSJG-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.05
Rot. Bonds5

About N-prop-2-enyl-N-propylcyclopropanamine

N-prop-2-enyl-N-propylcyclopropanamine (PubChem CID 131003839) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-prop-2-enyl-N-propylcyclopropanamine.

Molecular Properties

Compound NameN-prop-2-enyl-N-propylcyclopropanamine
PubChem CID131003839
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-prop-2-enyl-N-propylcyclopropanamine
SMILESC=CCN(CCC)C1CC1
InChIInChI=1S/C9H17N/c1-3-7-10(8-4-2)9-5-6-9/h3,9H,1,4-8H2,2H3
InChIKeyFMICMZQOTJLSJG-UHFFFAOYSA-N
XLogP2.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.05
H-Bond Donors ≤ 50
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-enyl-N-propylcyclopropanamine?
The IUPAC name of N-prop-2-enyl-N-propylcyclopropanamine (CID 131003839) is N-prop-2-enyl-N-propylcyclopropanamine.
What is the SMILES notation for N-prop-2-enyl-N-propylcyclopropanamine?
The canonical SMILES for N-prop-2-enyl-N-propylcyclopropanamine is C=CCN(CCC)C1CC1.
What is the InChIKey of N-prop-2-enyl-N-propylcyclopropanamine?
The InChIKey is FMICMZQOTJLSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-3-7-10(8-4-2)9-5-6-9/h3,9H,1,4-8H2,2H3.
What are the key properties of N-prop-2-enyl-N-propylcyclopropanamine?
N-prop-2-enyl-N-propylcyclopropanamine has a molecular weight of 139.24 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-propylcyclopropanamine is sourced from PubChem (CID 131003839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).