N-(2-chloroethyl)-N-(3-methoxypropyl)cyclopropanamine

C9H18ClNO — CID 63387922

IUPACN-(2-chloroethyl)-N-(3-methoxypropyl)cyclopropanamine
SMILESCOCCCN(CCCl)C1CC1
InChIInChI=1S/C9H18ClNO/c1-12-8-2-6-11(7-5-10)9-3-4-9/h9H,2-8H2,1H3
InChIKeyDINUZBOHQBAXCX-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.73
Rot. Bonds7

About N-(2-chloroethyl)-N-(3-methoxypropyl)cyclopropanamine

N-(2-chloroethyl)-N-(3-methoxypropyl)cyclopropanamine (PubChem CID 63387922) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(3-methoxypropyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(3-methoxypropyl)cyclopropanamine
PubChem CID63387922
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC NameN-(2-chloroethyl)-N-(3-methoxypropyl)cyclopropanamine
SMILESCOCCCN(CCCl)C1CC1
InChIInChI=1S/C9H18ClNO/c1-12-8-2-6-11(7-5-10)9-3-4-9/h9H,2-8H2,1H3
InChIKeyDINUZBOHQBAXCX-UHFFFAOYSA-N
XLogP1.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-pentylcyclopropanamine
CID 63388032
3-[cyclobutyl(4-methoxybutyl)amino]propan-1-ol
CID 102848821
3-[2-methoxyethyl(3-methoxypropyl)amino]cyclopentan-1-ol
CID 79642542
2-[cyclopentyl(4-methoxybutyl)amino]ethanol
CID 115679647
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)cyclopropanamine
CID 104567115
N-(2-bromoethyl)-N-[3-(2-methoxyethoxy)propyl]cyclopentanamine
CID 103413097
N-cyclopentyl-N'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine
CID 62562032
N,N-bis(2-chloroethyl)cyclooctanamine
CID 11075940
N-(2-butoxyethyl)-N-(2-chloroethyl)cyclohexanamine
CID 63386914
N-(3-chloropropyl)-N-(2-propoxyethyl)cyclobutanamine
CID 106457906
N'-cyclobutyl-N'-[2-(3-methoxypropoxy)ethyl]ethane-1,2-diamine
CID 103184116
N-(4-methoxybutyl)-N-propylpiperidin-4-amine
CID 115741630

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(3-methoxypropyl)cyclopropanamine?
The IUPAC name of N-(2-chloroethyl)-N-(3-methoxypropyl)cyclopropanamine (CID 63387922) is N-(2-chloroethyl)-N-(3-methoxypropyl)cyclopropanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-(3-methoxypropyl)cyclopropanamine?
The canonical SMILES for N-(2-chloroethyl)-N-(3-methoxypropyl)cyclopropanamine is COCCCN(CCCl)C1CC1.
What is the InChIKey of N-(2-chloroethyl)-N-(3-methoxypropyl)cyclopropanamine?
The InChIKey is DINUZBOHQBAXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-12-8-2-6-11(7-5-10)9-3-4-9/h9H,2-8H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-(3-methoxypropyl)cyclopropanamine?
N-(2-chloroethyl)-N-(3-methoxypropyl)cyclopropanamine has a molecular weight of 191.70 g/mol, XLogP of 1.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(3-methoxypropyl)cyclopropanamine is sourced from PubChem (CID 63387922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).