1,5,5-trichloropentan-1-amine

C5H10Cl3N — CID 57159022

IUPAC1,5,5-trichloropentan-1-amine
SMILESNC(Cl)CCCC(Cl)Cl
InChIInChI=1S/C5H10Cl3N/c6-4(7)2-1-3-5(8)9/h4-5H,1-3,9H2
InChIKeyMANZHHRSJHEPDV-UHFFFAOYSA-N
MW190.50 g/mol
LogP2.48
Rot. Bonds4

About 1,5,5-trichloropentan-1-amine

1,5,5-trichloropentan-1-amine (PubChem CID 57159022) has the molecular formula C5H10Cl3N and a molecular weight of 190.50 g/mol. Its IUPAC name is 1,5,5-trichloropentan-1-amine.

Molecular Properties

Compound Name1,5,5-trichloropentan-1-amine
PubChem CID57159022
Molecular FormulaC5H10Cl3N
Molecular Weight190.50 g/mol
Exact Mass188.99
IUPAC Name1,5,5-trichloropentan-1-amine
SMILESNC(Cl)CCCC(Cl)Cl
InChIInChI=1S/C5H10Cl3N/c6-4(7)2-1-3-5(8)9/h4-5H,1-3,9H2
InChIKeyMANZHHRSJHEPDV-UHFFFAOYSA-N
XLogP2.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.50
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,6,6-tetrachlorohexane
CID 87407260
1-chlorodocosan-1-amine
CID 174773966
1,1-dichloro-4-fluorobutane
CID 22321169
1-chloro-3-fluoropropan-1-amine
CID 57323075
1,1-dichloropentane;gallane
CID 174452216
CID 170843671
CID 170843671
1-chloro-4-methylpentan-1-amine
CID 147653436
CID 76519424
CID 76519424
1,1-dichloroheptane
CID 13184
CID 88751239
CID 88751239
2-(5,5-dichloropentyl)propane-1,3-diol
CID 18674567
(1S)-1-chloropropan-1-amine
CID 137374711

Frequently Asked Questions

What is the IUPAC name of 1,5,5-trichloropentan-1-amine?
The IUPAC name of 1,5,5-trichloropentan-1-amine (CID 57159022) is 1,5,5-trichloropentan-1-amine.
What is the SMILES notation for 1,5,5-trichloropentan-1-amine?
The canonical SMILES for 1,5,5-trichloropentan-1-amine is NC(Cl)CCCC(Cl)Cl.
What is the InChIKey of 1,5,5-trichloropentan-1-amine?
The InChIKey is MANZHHRSJHEPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10Cl3N/c6-4(7)2-1-3-5(8)9/h4-5H,1-3,9H2.
What are the key properties of 1,5,5-trichloropentan-1-amine?
1,5,5-trichloropentan-1-amine has a molecular weight of 190.50 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5-trichloropentan-1-amine is sourced from PubChem (CID 57159022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).