N-[[1-(chloromethyl)cyclopropyl]methyl]-2-propoxyethanamine

C10H20ClNO — CID 106457795

IUPACN-[[1-(chloromethyl)cyclopropyl]methyl]-2-propoxyethanamine
SMILESCCCOCCNCC1(CCl)CC1
InChIInChI=1S/C10H20ClNO/c1-2-6-13-7-5-12-9-10(8-11)3-4-10/h12H,2-9H2,1H3
InChIKeyMPEAECDGAHBDNT-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.02
Rot. Bonds8

About N-[[1-(chloromethyl)cyclopropyl]methyl]-2-propoxyethanamine

N-[[1-(chloromethyl)cyclopropyl]methyl]-2-propoxyethanamine (PubChem CID 106457795) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopropyl]methyl]-2-propoxyethanamine.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopropyl]methyl]-2-propoxyethanamine
PubChem CID106457795
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC NameN-[[1-(chloromethyl)cyclopropyl]methyl]-2-propoxyethanamine
SMILESCCCOCCNCC1(CCl)CC1
InChIInChI=1S/C10H20ClNO/c1-2-6-13-7-5-12-9-10(8-11)3-4-10/h12H,2-9H2,1H3
InChIKeyMPEAECDGAHBDNT-UHFFFAOYSA-N
XLogP2.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.02
H-Bond Donors ≤ 51
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

1-[(2-propoxyethylamino)methyl]cyclobutan-1-ol
CID 106452596
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(3-methylbutoxy)ethanamine
CID 103969204
N-[[1-(chloromethyl)cyclopropyl]methyl]hexan-1-amine
CID 115455602
N-[[1-(2-propoxyethyl)cyclopropyl]methyl]ethanamine
CID 106457012
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-ethoxypropan-1-amine
CID 103969068
2-[1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclopropyl]ethanol
CID 103179565
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-fluoroethanamine
CID 115455705
N-[[1-(2-chloroethyl)cyclopropyl]methyl]propan-1-amine
CID 114757564
1-(chloromethyl)-1-(2-propoxyethyl)cyclopentane
CID 106459535
2-[1-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]cyclopropyl]ethanol
CID 114756460
N'-hydroxy-2-[1-[(3-propoxypropylamino)methyl]cyclopropyl]ethanimidamide
CID 82943580
N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methoxybutan-1-amine
CID 104649791

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-2-propoxyethanamine?
The IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-2-propoxyethanamine (CID 106457795) is N-[[1-(chloromethyl)cyclopropyl]methyl]-2-propoxyethanamine.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopropyl]methyl]-2-propoxyethanamine?
The canonical SMILES for N-[[1-(chloromethyl)cyclopropyl]methyl]-2-propoxyethanamine is CCCOCCNCC1(CCl)CC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopropyl]methyl]-2-propoxyethanamine?
The InChIKey is MPEAECDGAHBDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-2-6-13-7-5-12-9-10(8-11)3-4-10/h12H,2-9H2,1H3.
What are the key properties of N-[[1-(chloromethyl)cyclopropyl]methyl]-2-propoxyethanamine?
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-propoxyethanamine has a molecular weight of 205.73 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopropyl]methyl]-2-propoxyethanamine is sourced from PubChem (CID 106457795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).