4-(chloromethyl)-N-pentyloxan-4-amine

C11H22ClNO — CID 106299646

IUPAC4-(chloromethyl)-N-pentyloxan-4-amine
SMILESCCCCCNC1(CCl)CCOCC1
InChIInChI=1S/C11H22ClNO/c1-2-3-4-7-13-11(10-12)5-8-14-9-6-11/h13H,2-10H2,1H3
InChIKeyLHNDRYFVRJRQHX-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.55
Rot. Bonds6

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

4-(chloromethyl)-N-pentyloxan-4-amine (PubChem CID 106299646) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 4-(chloromethyl)-N-pentyloxan-4-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-pentyloxan-4-amine
PubChem CID106299646
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name4-(chloromethyl)-N-pentyloxan-4-amine
SMILESCCCCCNC1(CCl)CCOCC1
InChIInChI=1S/C11H22ClNO/c1-2-3-4-7-13-11(10-12)5-8-14-9-6-11/h13H,2-10H2,1H3
InChIKeyLHNDRYFVRJRQHX-UHFFFAOYSA-N
XLogP2.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.55
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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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-pentyloxan-4-amine?
The IUPAC name of 4-(chloromethyl)-N-pentyloxan-4-amine (CID 106299646) is 4-(chloromethyl)-N-pentyloxan-4-amine.
What is the SMILES notation for 4-(chloromethyl)-N-pentyloxan-4-amine?
The canonical SMILES for 4-(chloromethyl)-N-pentyloxan-4-amine is CCCCCNC1(CCl)CCOCC1.
What is the InChIKey of 4-(chloromethyl)-N-pentyloxan-4-amine?
The InChIKey is LHNDRYFVRJRQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-2-3-4-7-13-11(10-12)5-8-14-9-6-11/h13H,2-10H2,1H3.
What are the key properties of 4-(chloromethyl)-N-pentyloxan-4-amine?
4-(chloromethyl)-N-pentyloxan-4-amine has a molecular weight of 219.76 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-pentyloxan-4-amine is sourced from PubChem (CID 106299646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).