N-[3-(2-chloroethoxy)propyl]pentan-1-amine

C10H22ClNO — CID 106306037

IUPACN-[3-(2-chloroethoxy)propyl]pentan-1-amine
SMILESCCCCCNCCCOCCCl
InChIInChI=1S/C10H22ClNO/c1-2-3-4-7-12-8-5-9-13-10-6-11/h12H,2-10H2,1H3
InChIKeyUYQIMOPUXYKHSN-UHFFFAOYSA-N
MW207.74 g/mol
LogP2.41
Rot. Bonds10

About N-[3-(2-chloroethoxy)propyl]pentan-1-amine

N-[3-(2-chloroethoxy)propyl]pentan-1-amine (PubChem CID 106306037) has the molecular formula C10H22ClNO and a molecular weight of 207.74 g/mol. Its IUPAC name is N-[3-(2-chloroethoxy)propyl]pentan-1-amine.

Molecular Properties

Compound NameN-[3-(2-chloroethoxy)propyl]pentan-1-amine
PubChem CID106306037
Molecular FormulaC10H22ClNO
Molecular Weight207.74 g/mol
Exact Mass207.14
IUPAC NameN-[3-(2-chloroethoxy)propyl]pentan-1-amine
SMILESCCCCCNCCCOCCCl
InChIInChI=1S/C10H22ClNO/c1-2-3-4-7-12-8-5-9-13-10-6-11/h12H,2-10H2,1H3
InChIKeyUYQIMOPUXYKHSN-UHFFFAOYSA-N
XLogP2.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.74
LogP ≤ 52.41
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

N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-chloroethoxy)propan-1-amine
CID 106306173
3-pentoxy-N-propylpropan-1-amine
CID 62451352
1-(2-chloroethoxy)octane
CID 20788542
N-(2-butoxyethyl)heptan-1-amine
CID 61168932
5-pentoxy-N-propylpentan-1-amine
CID 62451179
3-hexoxy-N-propylpropan-1-amine
CID 62456253
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pentan-1-amine
CID 175309381
N-[3-(2-methoxyethoxy)propyl]hexan-1-amine
CID 28880105
3-(2-chloroethoxy)-N-(3-ethylsulfonylpropyl)propan-1-amine
CID 106306287
3-(2-chloroethoxy)-N-(2-ethylsulfonylethyl)propan-1-amine
CID 106306140
3-(2-chloroethoxy)-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine
CID 106306027
N-(2-pentoxyethyl)butan-1-amine
CID 54396114

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloroethoxy)propyl]pentan-1-amine?
The IUPAC name of N-[3-(2-chloroethoxy)propyl]pentan-1-amine (CID 106306037) is N-[3-(2-chloroethoxy)propyl]pentan-1-amine.
What is the SMILES notation for N-[3-(2-chloroethoxy)propyl]pentan-1-amine?
The canonical SMILES for N-[3-(2-chloroethoxy)propyl]pentan-1-amine is CCCCCNCCCOCCCl.
What is the InChIKey of N-[3-(2-chloroethoxy)propyl]pentan-1-amine?
The InChIKey is UYQIMOPUXYKHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO/c1-2-3-4-7-12-8-5-9-13-10-6-11/h12H,2-10H2,1H3.
What are the key properties of N-[3-(2-chloroethoxy)propyl]pentan-1-amine?
N-[3-(2-chloroethoxy)propyl]pentan-1-amine has a molecular weight of 207.74 g/mol, XLogP of 2.41, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloroethoxy)propyl]pentan-1-amine is sourced from PubChem (CID 106306037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).