azane;3-chloro-3-ethylheptadecane

C19H42ClN — CID 87792751

IUPACazane;3-chloro-3-ethylheptadecane
SMILESCCCCCCCCCCCCCCC(Cl)(CC)CC.N
InChIInChI=1S/C19H39Cl.H3N/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19(20,5-2)6-3;/h4-18H2,1-3H3;1H3
InChIKeyUJXFAGKZUDFUQZ-UHFFFAOYSA-N
MW320.01 g/mol
LogP8.04
Rot. Bonds15

About azane;3-chloro-3-ethylheptadecane

azane;3-chloro-3-ethylheptadecane (PubChem CID 87792751) has the molecular formula C19H42ClN and a molecular weight of 320.01 g/mol. Its IUPAC name is azane;3-chloro-3-ethylheptadecane.

Molecular Properties

Compound Nameazane;3-chloro-3-ethylheptadecane
PubChem CID87792751
Molecular FormulaC19H42ClN
Molecular Weight320.01 g/mol
Exact Mass319.30
IUPAC Nameazane;3-chloro-3-ethylheptadecane
SMILESCCCCCCCCCCCCCCC(Cl)(CC)CC.N
InChIInChI=1S/C19H39Cl.H3N/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19(20,5-2)6-3;/h4-18H2,1-3H3;1H3
InChIKeyUJXFAGKZUDFUQZ-UHFFFAOYSA-N
XLogP8.04
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.01
LogP ≤ 58.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze azane;3-chloro-3-ethylheptadecane 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

azane;12-chloro-12-undecyltetracosane
CID 88840214
azane;9-chloro-9-octyloctadecane;hydron
CID 22328165
11-chloro-11-decylpentacosane
CID 19690403
7-chloro-7-hexylheptadecane
CID 141000501
11-chloro-11-nonylhenicosane
CID 154304707
azane;5-butyl-5-chlorodecane
CID 88839636
azane;2-chloro-2-methyltridecane
CID 87093642
1,1,1-trichlorononane
CID 6420387
4,13-dichloro-4,13-dipropylhexadecane
CID 101326061
3-chloro-3-methyloctadecane
CID 158282272
2-chloro-2-methylheptadecane
CID 19869804
4-chloro-4-ethylhexan-1-amine
CID 54264302

Frequently Asked Questions

What is the IUPAC name of azane;3-chloro-3-ethylheptadecane?
The IUPAC name of azane;3-chloro-3-ethylheptadecane (CID 87792751) is azane;3-chloro-3-ethylheptadecane.
What is the SMILES notation for azane;3-chloro-3-ethylheptadecane?
The canonical SMILES for azane;3-chloro-3-ethylheptadecane is CCCCCCCCCCCCCCC(Cl)(CC)CC.N.
What is the InChIKey of azane;3-chloro-3-ethylheptadecane?
The InChIKey is UJXFAGKZUDFUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39Cl.H3N/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19(20,5-2)6-3;/h4-18H2,1-3H3;1H3.
What are the key properties of azane;3-chloro-3-ethylheptadecane?
azane;3-chloro-3-ethylheptadecane has a molecular weight of 320.01 g/mol, XLogP of 8.04, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-chloro-3-ethylheptadecane is sourced from PubChem (CID 87792751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).