N-(2-chloroethyl)-N-pentylcyclopropanamine

C10H20ClN — CID 63388032

IUPACN-(2-chloroethyl)-N-pentylcyclopropanamine
SMILESCCCCCN(CCCl)C1CC1
InChIInChI=1S/C10H20ClN/c1-2-3-4-8-12(9-7-11)10-5-6-10/h10H,2-9H2,1H3
InChIKeyYANHCCQDESGRJV-UHFFFAOYSA-N
MW189.73 g/mol
LogP2.88
Rot. Bonds7

About N-(2-chloroethyl)-N-pentylcyclopropanamine

N-(2-chloroethyl)-N-pentylcyclopropanamine (PubChem CID 63388032) has the molecular formula C10H20ClN and a molecular weight of 189.73 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-pentylcyclopropanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-pentylcyclopropanamine
PubChem CID63388032
Molecular FormulaC10H20ClN
Molecular Weight189.73 g/mol
Exact Mass189.13
IUPAC NameN-(2-chloroethyl)-N-pentylcyclopropanamine
SMILESCCCCCN(CCCl)C1CC1
InChIInChI=1S/C10H20ClN/c1-2-3-4-8-12(9-7-11)10-5-6-10/h10H,2-9H2,1H3
InChIKeyYANHCCQDESGRJV-UHFFFAOYSA-N
XLogP2.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.73
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-pentylcyclopropanamine?
The IUPAC name of N-(2-chloroethyl)-N-pentylcyclopropanamine (CID 63388032) is N-(2-chloroethyl)-N-pentylcyclopropanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-pentylcyclopropanamine?
The canonical SMILES for N-(2-chloroethyl)-N-pentylcyclopropanamine is CCCCCN(CCCl)C1CC1.
What is the InChIKey of N-(2-chloroethyl)-N-pentylcyclopropanamine?
The InChIKey is YANHCCQDESGRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClN/c1-2-3-4-8-12(9-7-11)10-5-6-10/h10H,2-9H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-pentylcyclopropanamine?
N-(2-chloroethyl)-N-pentylcyclopropanamine has a molecular weight of 189.73 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-pentylcyclopropanamine is sourced from PubChem (CID 63388032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).