azane;2-chloroacetic acid;heptadecane

C19H45ClN2O2 — CID 174502189

IUPACazane;2-chloroacetic acid;heptadecane
SMILESCCCCCCCCCCCCCCCCC.N.N.O=C(O)CCl
InChIInChI=1S/C17H36.C2H3ClO2.2H3N/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;3-1-2(4)5;;/h3-17H2,1-2H3;1H2,(H,4,5);2*1H3
InChIKeyKDDOLJQYDSOZQR-UHFFFAOYSA-N
MW369.03 g/mol
LogP7.51
Rot. Bonds15

About azane;2-chloroacetic acid;heptadecane

azane;2-chloroacetic acid;heptadecane (PubChem CID 174502189) has the molecular formula C19H45ClN2O2 and a molecular weight of 369.03 g/mol. Its IUPAC name is azane;2-chloroacetic acid;heptadecane.

Molecular Properties

Compound Nameazane;2-chloroacetic acid;heptadecane
PubChem CID174502189
Molecular FormulaC19H45ClN2O2
Molecular Weight369.03 g/mol
Exact Mass368.32
IUPAC Nameazane;2-chloroacetic acid;heptadecane
SMILESCCCCCCCCCCCCCCCCC.N.N.O=C(O)CCl
InChIInChI=1S/C17H36.C2H3ClO2.2H3N/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;3-1-2(4)5;;/h3-17H2,1-2H3;1H2,(H,4,5);2*1H3
InChIKeyKDDOLJQYDSOZQR-UHFFFAOYSA-N
XLogP7.51
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.03
LogP ≤ 57.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-chloroacetic acid;dodecan-1-amine
CID 12721583
azane;dodecane;propanoic acid
CID 173003652
2-chloroacetic acid;N,N-dimethyldodecan-1-amine
CID 71300539
decane;propanoic acid
CID 158826686
decanoic acid;dichloromethane
CID 158392247
azane;bis(dodecanoic acid)
CID 173380144
azane;hexacosanoic acid
CID 173436690
bis(butanedioic acid);decane
CID 159628544
azane;octadecanoic acid;zinc
CID 175418700
icosane;oxalic acid
CID 175691290
acetic acid;decane
CID 172853582
acetic acid;nonane
CID 174272180

Frequently Asked Questions

What is the IUPAC name of azane;2-chloroacetic acid;heptadecane?
The IUPAC name of azane;2-chloroacetic acid;heptadecane (CID 174502189) is azane;2-chloroacetic acid;heptadecane.
What is the SMILES notation for azane;2-chloroacetic acid;heptadecane?
The canonical SMILES for azane;2-chloroacetic acid;heptadecane is CCCCCCCCCCCCCCCCC.N.N.O=C(O)CCl.
What is the InChIKey of azane;2-chloroacetic acid;heptadecane?
The InChIKey is KDDOLJQYDSOZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36.C2H3ClO2.2H3N/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;3-1-2(4)5;;/h3-17H2,1-2H3;1H2,(H,4,5);2*1H3.
What are the key properties of azane;2-chloroacetic acid;heptadecane?
azane;2-chloroacetic acid;heptadecane has a molecular weight of 369.03 g/mol, XLogP of 7.51, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-chloroacetic acid;heptadecane is sourced from PubChem (CID 174502189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).