6-chloro-N-[3-(oxolan-2-yl)propyl]hexan-1-amine

C13H26ClNO — CID 107845985

IUPAC6-chloro-N-[3-(oxolan-2-yl)propyl]hexan-1-amine
SMILESClCCCCCCNCCCC1CCCO1
InChIInChI=1S/C13H26ClNO/c14-9-3-1-2-4-10-15-11-5-7-13-8-6-12-16-13/h13,15H,1-12H2
InChIKeyZVJYBJKQYXTJQK-UHFFFAOYSA-N
MW247.81 g/mol
LogP3.33
Rot. Bonds10

About 6-chloro-N-[3-(oxolan-2-yl)propyl]hexan-1-amine

6-chloro-N-[3-(oxolan-2-yl)propyl]hexan-1-amine (PubChem CID 107845985) has the molecular formula C13H26ClNO and a molecular weight of 247.81 g/mol. Its IUPAC name is 6-chloro-N-[3-(oxolan-2-yl)propyl]hexan-1-amine.

Molecular Properties

Compound Name6-chloro-N-[3-(oxolan-2-yl)propyl]hexan-1-amine
PubChem CID107845985
Molecular FormulaC13H26ClNO
Molecular Weight247.81 g/mol
Exact Mass247.17
IUPAC Name6-chloro-N-[3-(oxolan-2-yl)propyl]hexan-1-amine
SMILESClCCCCCCNCCCC1CCCO1
InChIInChI=1S/C13H26ClNO/c14-9-3-1-2-4-10-15-11-5-7-13-8-6-12-16-13/h13,15H,1-12H2
InChIKeyZVJYBJKQYXTJQK-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.81
LogP ≤ 53.33
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

(2S)-2-(6-chlorohexyl)oxolane
CID 155932056
N-(3-iodopropyl)-3-(oxolan-2-yl)propan-1-amine
CID 114503922
N-[2-(oxolan-2-yl)ethyl]nonan-1-amine
CID 61039120
2-(3-chloropropyl)oxane
CID 23511686
N-(2-methylsulfinylethyl)-3-(oxolan-2-yl)propan-1-amine
CID 104668632
N-[2-(4-methylcyclohexyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 65164076
5-[3-(oxolan-2-yl)propylamino]pentan-2-ol
CID 107272097
N-(5-chloropentyl)-3-(oxan-2-yl)propanamide
CID 107321014
5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine
CID 65166491
5-chloro-N-methyl-N-[2-(oxolan-2-yl)ethyl]pentan-1-amine
CID 107205020
N-[2-(2,2-difluoroethoxy)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 103083062
N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-propan-2-ylethane-1,2-diamine
CID 65163903

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(oxolan-2-yl)propyl]hexan-1-amine?
The IUPAC name of 6-chloro-N-[3-(oxolan-2-yl)propyl]hexan-1-amine (CID 107845985) is 6-chloro-N-[3-(oxolan-2-yl)propyl]hexan-1-amine.
What is the SMILES notation for 6-chloro-N-[3-(oxolan-2-yl)propyl]hexan-1-amine?
The canonical SMILES for 6-chloro-N-[3-(oxolan-2-yl)propyl]hexan-1-amine is ClCCCCCCNCCCC1CCCO1.
What is the InChIKey of 6-chloro-N-[3-(oxolan-2-yl)propyl]hexan-1-amine?
The InChIKey is ZVJYBJKQYXTJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26ClNO/c14-9-3-1-2-4-10-15-11-5-7-13-8-6-12-16-13/h13,15H,1-12H2.
What are the key properties of 6-chloro-N-[3-(oxolan-2-yl)propyl]hexan-1-amine?
6-chloro-N-[3-(oxolan-2-yl)propyl]hexan-1-amine has a molecular weight of 247.81 g/mol, XLogP of 3.33, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(oxolan-2-yl)propyl]hexan-1-amine is sourced from PubChem (CID 107845985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).