4-(chloromethyl)-N-heptyloxan-4-amine

C13H26ClNO — CID 106299724

IUPAC4-(chloromethyl)-N-heptyloxan-4-amine
SMILESCCCCCCCNC1(CCl)CCOCC1
InChIInChI=1S/C13H26ClNO/c1-2-3-4-5-6-9-15-13(12-14)7-10-16-11-8-13/h15H,2-12H2,1H3
InChIKeyFLUMBSNRSHERIX-UHFFFAOYSA-N
MW247.81 g/mol
LogP3.33
Rot. Bonds8

About 4-(chloromethyl)-N-heptyloxan-4-amine

4-(chloromethyl)-N-heptyloxan-4-amine (PubChem CID 106299724) has the molecular formula C13H26ClNO and a molecular weight of 247.81 g/mol. Its IUPAC name is 4-(chloromethyl)-N-heptyloxan-4-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-heptyloxan-4-amine
PubChem CID106299724
Molecular FormulaC13H26ClNO
Molecular Weight247.81 g/mol
Exact Mass247.17
IUPAC Name4-(chloromethyl)-N-heptyloxan-4-amine
SMILESCCCCCCCNC1(CCl)CCOCC1
InChIInChI=1S/C13H26ClNO/c1-2-3-4-5-6-9-15-13(12-14)7-10-16-11-8-13/h15H,2-12H2,1H3
InChIKeyFLUMBSNRSHERIX-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

1-(chloromethyl)-N-decylcyclohexan-1-amine
CID 65024500
4-(chloromethyl)-N-(2-methylsulfanylethyl)oxan-4-amine
CID 106299922
4-(chloromethyl)-N-(3-methylsulfanylpropyl)oxan-4-amine
CID 106299611
4-(chloromethyl)-N-(2-fluoroethyl)oxan-4-amine
CID 106300011
4-(chloromethyl)-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine
CID 106299632
4-(chloromethyl)-N-(3-pyrrolidin-1-ylpropyl)oxan-4-amine
CID 106299940
1-(chloromethyl)-3-methyl-N-octylcyclohexan-1-amine
CID 65029958
4-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine
CID 106299988
1,4-dioxane;tetradecane
CID 159034856
1-(chloromethyl)-N-(4-methoxybutyl)cyclopentan-1-amine
CID 104649733
[1-(hexylamino)cyclohexyl]methanol
CID 62519893
N-decyl-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210328

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-heptyloxan-4-amine?
The IUPAC name of 4-(chloromethyl)-N-heptyloxan-4-amine (CID 106299724) is 4-(chloromethyl)-N-heptyloxan-4-amine.
What is the SMILES notation for 4-(chloromethyl)-N-heptyloxan-4-amine?
The canonical SMILES for 4-(chloromethyl)-N-heptyloxan-4-amine is CCCCCCCNC1(CCl)CCOCC1.
What is the InChIKey of 4-(chloromethyl)-N-heptyloxan-4-amine?
The InChIKey is FLUMBSNRSHERIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26ClNO/c1-2-3-4-5-6-9-15-13(12-14)7-10-16-11-8-13/h15H,2-12H2,1H3.
What are the key properties of 4-(chloromethyl)-N-heptyloxan-4-amine?
4-(chloromethyl)-N-heptyloxan-4-amine has a molecular weight of 247.81 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-heptyloxan-4-amine is sourced from PubChem (CID 106299724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).