4-(chloromethyl)-N-(cyclopropylmethyl)oxan-4-amine

C10H18ClNO — CID 106299637

IUPAC4-(chloromethyl)-N-(cyclopropylmethyl)oxan-4-amine
SMILESClCC1(NCC2CC2)CCOCC1
InChIInChI=1S/C10H18ClNO/c11-8-10(3-5-13-6-4-10)12-7-9-1-2-9/h9,12H,1-8H2
InChIKeyMNIJETWXNIJRFS-UHFFFAOYSA-N
MW203.71 g/mol
LogP1.77
Rot. Bonds4

About 4-(chloromethyl)-N-(cyclopropylmethyl)oxan-4-amine

4-(chloromethyl)-N-(cyclopropylmethyl)oxan-4-amine (PubChem CID 106299637) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(cyclopropylmethyl)oxan-4-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-(cyclopropylmethyl)oxan-4-amine
PubChem CID106299637
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name4-(chloromethyl)-N-(cyclopropylmethyl)oxan-4-amine
SMILESClCC1(NCC2CC2)CCOCC1
InChIInChI=1S/C10H18ClNO/c11-8-10(3-5-13-6-4-10)12-7-9-1-2-9/h9,12H,1-8H2
InChIKeyMNIJETWXNIJRFS-UHFFFAOYSA-N
XLogP1.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(cyclopropylmethyl)oxan-4-amine?
The IUPAC name of 4-(chloromethyl)-N-(cyclopropylmethyl)oxan-4-amine (CID 106299637) is 4-(chloromethyl)-N-(cyclopropylmethyl)oxan-4-amine.
What is the SMILES notation for 4-(chloromethyl)-N-(cyclopropylmethyl)oxan-4-amine?
The canonical SMILES for 4-(chloromethyl)-N-(cyclopropylmethyl)oxan-4-amine is ClCC1(NCC2CC2)CCOCC1.
What is the InChIKey of 4-(chloromethyl)-N-(cyclopropylmethyl)oxan-4-amine?
The InChIKey is MNIJETWXNIJRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c11-8-10(3-5-13-6-4-10)12-7-9-1-2-9/h9,12H,1-8H2.
What are the key properties of 4-(chloromethyl)-N-(cyclopropylmethyl)oxan-4-amine?
4-(chloromethyl)-N-(cyclopropylmethyl)oxan-4-amine has a molecular weight of 203.71 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(cyclopropylmethyl)oxan-4-amine is sourced from PubChem (CID 106299637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).