4-(chloromethyl)-N-propyloxan-4-amine

C9H18ClNO — CID 106299711

IUPAC4-(chloromethyl)-N-propyloxan-4-amine
SMILESCCCNC1(CCl)CCOCC1
InChIInChI=1S/C9H18ClNO/c1-2-5-11-9(8-10)3-6-12-7-4-9/h11H,2-8H2,1H3
InChIKeyQVKRYPZUNMRIQZ-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.77
Rot. Bonds4

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

4-(chloromethyl)-N-propyloxan-4-amine (PubChem CID 106299711) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 4-(chloromethyl)-N-propyloxan-4-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-propyloxan-4-amine
PubChem CID106299711
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name4-(chloromethyl)-N-propyloxan-4-amine
SMILESCCCNC1(CCl)CCOCC1
InChIInChI=1S/C9H18ClNO/c1-2-5-11-9(8-10)3-6-12-7-4-9/h11H,2-8H2,1H3
InChIKeyQVKRYPZUNMRIQZ-UHFFFAOYSA-N
XLogP1.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-N-propyloxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-3-amine
CID 65030205
4-(chloromethyl)-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 106299739
4-(chloromethyl)-N-(3-fluoropropyl)oxan-4-amine
CID 106299759
4-(chloromethyl)-N-(3,3,3-trifluoropropyl)oxan-4-amine
CID 106299764
4-(chloromethyl)-N-(2,2-difluoroethyl)oxan-4-amine
CID 106299797
4-(chloromethyl)-N-(4,4,4-trifluorobutyl)oxan-4-amine
CID 106299904
4-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine
CID 106299988
4-(chloromethyl)-N-(2-fluoroethyl)oxan-4-amine
CID 106300011
2-chloro-N-(oxan-4-ylmethyl)propan-1-amine
CID 65023827
3-chloro-N-(oxan-4-ylmethyl)butan-1-amine
CID 65025015
1-chloro-N-(3-methoxypropyl)-2-methylbutan-2-amine
CID 65025157
1-chloro-2-methyl-N-(oxan-4-ylmethyl)butan-2-amine
CID 65025269

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-propyloxan-4-amine?
The IUPAC name of 4-(chloromethyl)-N-propyloxan-4-amine (CID 106299711) is 4-(chloromethyl)-N-propyloxan-4-amine.
What is the SMILES notation for 4-(chloromethyl)-N-propyloxan-4-amine?
The canonical SMILES for 4-(chloromethyl)-N-propyloxan-4-amine is CCCNC1(CCl)CCOCC1.
What is the InChIKey of 4-(chloromethyl)-N-propyloxan-4-amine?
The InChIKey is QVKRYPZUNMRIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-2-5-11-9(8-10)3-6-12-7-4-9/h11H,2-8H2,1H3.
What are the key properties of 4-(chloromethyl)-N-propyloxan-4-amine?
4-(chloromethyl)-N-propyloxan-4-amine has a molecular weight of 191.70 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-propyloxan-4-amine is sourced from PubChem (CID 106299711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).