N-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]cyclopropanamine

C11H20ClNO — CID 103139756

IUPACN-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]cyclopropanamine
SMILESCC1CCC(CN(CCCl)C2CC2)O1
InChIInChI=1S/C11H20ClNO/c1-9-2-5-11(14-9)8-13(7-6-12)10-3-4-10/h9-11H,2-8H2,1H3
InChIKeyGGCYWXKDWIPUTM-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.26
Rot. Bonds5

About N-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]cyclopropanamine

N-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]cyclopropanamine (PubChem CID 103139756) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]cyclopropanamine
PubChem CID103139756
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC NameN-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]cyclopropanamine
SMILESCC1CCC(CN(CCCl)C2CC2)O1
InChIInChI=1S/C11H20ClNO/c1-9-2-5-11(14-9)8-13(7-6-12)10-3-4-10/h9-11H,2-8H2,1H3
InChIKeyGGCYWXKDWIPUTM-UHFFFAOYSA-N
XLogP2.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-ethyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 103139740
N-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]butan-1-amine
CID 103139726
N-[(5-methyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 82838195
N-[[(2R,5R)-5-methyloxolan-2-yl]methyl]-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine
CID 100620811
N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopropanamine
CID 102900766
N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclopentanamine
CID 63388993
N-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclopentanamine
CID 63389279
N-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclohexanamine
CID 63386966
N,N-bis(2-chloroethyl)cyclooctanamine
CID 11075940
N-methyl-N-[(5-methyloxolan-2-yl)methyl]methanesulfonamide
CID 130659174
N-(2-chloroethyl)-N-pentylcyclopropanamine
CID 63388032
4-[methyl-[(5-methyloxolan-2-yl)methyl]amino]cyclohexan-1-one
CID 103134322

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]cyclopropanamine (CID 103139756) is N-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]cyclopropanamine is CC1CCC(CN(CCCl)C2CC2)O1.
What is the InChIKey of N-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]cyclopropanamine?
The InChIKey is GGCYWXKDWIPUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-9-2-5-11(14-9)8-13(7-6-12)10-3-4-10/h9-11H,2-8H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]cyclopropanamine?
N-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]cyclopropanamine has a molecular weight of 217.74 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 103139756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).