5-chloro-N-methyl-N-[2-(oxolan-2-yl)ethyl]pentan-1-amine

C12H24ClNO — CID 107205020

IUPAC5-chloro-N-methyl-N-[2-(oxolan-2-yl)ethyl]pentan-1-amine
SMILESCN(CCCCCCl)CCC1CCCO1
InChIInChI=1S/C12H24ClNO/c1-14(9-4-2-3-8-13)10-7-12-6-5-11-15-12/h12H,2-11H2,1H3
InChIKeyBALWIHDHKHRTTG-UHFFFAOYSA-N
MW233.78 g/mol
LogP2.90
Rot. Bonds8

About 5-chloro-N-methyl-N-[2-(oxolan-2-yl)ethyl]pentan-1-amine

5-chloro-N-methyl-N-[2-(oxolan-2-yl)ethyl]pentan-1-amine (PubChem CID 107205020) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[2-(oxolan-2-yl)ethyl]pentan-1-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[2-(oxolan-2-yl)ethyl]pentan-1-amine
PubChem CID107205020
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC Name5-chloro-N-methyl-N-[2-(oxolan-2-yl)ethyl]pentan-1-amine
SMILESCN(CCCCCCl)CCC1CCCO1
InChIInChI=1S/C12H24ClNO/c1-14(9-4-2-3-8-13)10-7-12-6-5-11-15-12/h12H,2-11H2,1H3
InChIKeyBALWIHDHKHRTTG-UHFFFAOYSA-N
XLogP2.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 52.90
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-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65165670
(2S)-2-(6-chlorohexyl)oxolane
CID 155932056
N-(3-chloropropyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutanamine
CID 102860592
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036
N-methyl-N-[2-(oxolan-2-yl)ethyl]-2-piperidin-4-ylethanamine
CID 66272160
6-chloro-N-[3-(oxolan-2-yl)propyl]hexan-1-amine
CID 107845985
2-(3-chloropropyl)oxane
CID 23511686
1-N,2-dimethyl-1-N-[2-(oxolan-2-yl)ethyl]propane-1,2-diamine
CID 120857063
5-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-1-amine
CID 107205092
N',2,2-trimethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine
CID 79652271
3-[methyl(oxolan-2-ylmethyl)amino]propan-1-ol
CID 60965354
6-[methyl(oxan-2-ylmethyl)amino]hexan-1-ol
CID 103737833

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[2-(oxolan-2-yl)ethyl]pentan-1-amine?
The IUPAC name of 5-chloro-N-methyl-N-[2-(oxolan-2-yl)ethyl]pentan-1-amine (CID 107205020) is 5-chloro-N-methyl-N-[2-(oxolan-2-yl)ethyl]pentan-1-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-[2-(oxolan-2-yl)ethyl]pentan-1-amine?
The canonical SMILES for 5-chloro-N-methyl-N-[2-(oxolan-2-yl)ethyl]pentan-1-amine is CN(CCCCCCl)CCC1CCCO1.
What is the InChIKey of 5-chloro-N-methyl-N-[2-(oxolan-2-yl)ethyl]pentan-1-amine?
The InChIKey is BALWIHDHKHRTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-14(9-4-2-3-8-13)10-7-12-6-5-11-15-12/h12H,2-11H2,1H3.
What are the key properties of 5-chloro-N-methyl-N-[2-(oxolan-2-yl)ethyl]pentan-1-amine?
5-chloro-N-methyl-N-[2-(oxolan-2-yl)ethyl]pentan-1-amine has a molecular weight of 233.78 g/mol, XLogP of 2.90, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[2-(oxolan-2-yl)ethyl]pentan-1-amine is sourced from PubChem (CID 107205020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).