N-[(2-chlorocyclopentyl)methyl]-3-(2-methoxyethoxy)propan-1-amine

C12H24ClNO2 — CID 103413070

IUPACN-[(2-chlorocyclopentyl)methyl]-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCCCNCC1CCCC1Cl
InChIInChI=1S/C12H24ClNO2/c1-15-8-9-16-7-3-6-14-10-11-4-2-5-12(11)13/h11-12,14H,2-10H2,1H3
InChIKeyQDMGQIAKSXQAMQ-UHFFFAOYSA-N
MW249.78 g/mol
LogP2.04
Rot. Bonds9

About N-[(2-chlorocyclopentyl)methyl]-3-(2-methoxyethoxy)propan-1-amine

N-[(2-chlorocyclopentyl)methyl]-3-(2-methoxyethoxy)propan-1-amine (PubChem CID 103413070) has the molecular formula C12H24ClNO2 and a molecular weight of 249.78 g/mol. Its IUPAC name is N-[(2-chlorocyclopentyl)methyl]-3-(2-methoxyethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[(2-chlorocyclopentyl)methyl]-3-(2-methoxyethoxy)propan-1-amine
PubChem CID103413070
Molecular FormulaC12H24ClNO2
Molecular Weight249.78 g/mol
Exact Mass249.15
IUPAC NameN-[(2-chlorocyclopentyl)methyl]-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCCCNCC1CCCC1Cl
InChIInChI=1S/C12H24ClNO2/c1-15-8-9-16-7-3-6-14-10-11-4-2-5-12(11)13/h11-12,14H,2-10H2,1H3
InChIKeyQDMGQIAKSXQAMQ-UHFFFAOYSA-N
XLogP2.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.78
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-methoxy-N-[(2-methylcyclopentyl)methyl]propan-1-amine
CID 107417904
N-[(2-chlorocyclohexyl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 112591784
3-(2-methoxyethoxy)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106636763
3-(2-methoxyethoxy)-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine
CID 106025656
N-[(2-chlorocyclohexyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 106457684
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(3-methoxypropoxy)ethanamine
CID 103183994
N-[(2-chlorocyclohexyl)methyl]-3-phenoxypropan-1-amine
CID 65024952
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(2-methoxyethoxy)butan-1-amine
CID 104693936
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 103409411
N-[[2-[3-(2-methoxyethoxy)propyl]cycloheptyl]methyl]ethanamine
CID 103415943
3-[[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]methyl]cyclohexan-1-ol
CID 106132340
N-(cyclohexylmethyl)-3-methoxypropan-1-amine
CID 17207140

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclopentyl)methyl]-3-(2-methoxyethoxy)propan-1-amine?
The IUPAC name of N-[(2-chlorocyclopentyl)methyl]-3-(2-methoxyethoxy)propan-1-amine (CID 103413070) is N-[(2-chlorocyclopentyl)methyl]-3-(2-methoxyethoxy)propan-1-amine.
What is the SMILES notation for N-[(2-chlorocyclopentyl)methyl]-3-(2-methoxyethoxy)propan-1-amine?
The canonical SMILES for N-[(2-chlorocyclopentyl)methyl]-3-(2-methoxyethoxy)propan-1-amine is COCCOCCCNCC1CCCC1Cl.
What is the InChIKey of N-[(2-chlorocyclopentyl)methyl]-3-(2-methoxyethoxy)propan-1-amine?
The InChIKey is QDMGQIAKSXQAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO2/c1-15-8-9-16-7-3-6-14-10-11-4-2-5-12(11)13/h11-12,14H,2-10H2,1H3.
What are the key properties of N-[(2-chlorocyclopentyl)methyl]-3-(2-methoxyethoxy)propan-1-amine?
N-[(2-chlorocyclopentyl)methyl]-3-(2-methoxyethoxy)propan-1-amine has a molecular weight of 249.78 g/mol, XLogP of 2.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclopentyl)methyl]-3-(2-methoxyethoxy)propan-1-amine is sourced from PubChem (CID 103413070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).