N,N-dichloropentan-3-amine

C5H11Cl2N — CID 12720695

IUPACN,N-dichloropentan-3-amine
SMILESCCC(CC)N(Cl)Cl
InChIInChI=1S/C5H11Cl2N/c1-3-5(4-2)8(6)7/h5H,3-4H2,1-2H3
InChIKeyUIJUSVLMHNTXSE-UHFFFAOYSA-N
MW156.06 g/mol
LogP2.78
Rot. Bonds3

About N,N-dichloropentan-3-amine

N,N-dichloropentan-3-amine (PubChem CID 12720695) has the molecular formula C5H11Cl2N and a molecular weight of 156.06 g/mol. Its IUPAC name is N,N-dichloropentan-3-amine.

Molecular Properties

Compound NameN,N-dichloropentan-3-amine
PubChem CID12720695
Molecular FormulaC5H11Cl2N
Molecular Weight156.06 g/mol
Exact Mass155.03
IUPAC NameN,N-dichloropentan-3-amine
SMILESCCC(CC)N(Cl)Cl
InChIInChI=1S/C5H11Cl2N/c1-3-5(4-2)8(6)7/h5H,3-4H2,1-2H3
InChIKeyUIJUSVLMHNTXSE-UHFFFAOYSA-N
XLogP2.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.06
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-N,2-N-dimethylbutane-1,2-diamine;dihydrochloride
CID 43810640
N,N-diethylpentan-3-amine;hydrobromide
CID 175223065
1-chloro-N-ethyl-N-methylbutan-2-amine
CID 130629325
1-chloro-N,N-dimethylpentan-3-amine
CID 116907512
1,1,2-trichlorobutane
CID 19865249
N,N-bis(2-methylpropyl)pentan-3-amine
CID 20735455
N'-methyl-N'-pentan-3-ylmethanediamine
CID 58780835
N,N-dimethyl-5-methylsulfanylhexan-3-amine
CID 177172917
6-chloro-N,N,5-trimethylhexan-3-amine
CID 88740860
methyl(pentan-3-yl)cyanamide
CID 87839420
1-[2-(dimethylamino)butyldisulfanyl]-N,N-dimethylbutan-2-amine
CID 139604826
1-N,1-N,2-N,2-N-tetraaminobutane-1,2-diamine
CID 87261599

Frequently Asked Questions

What is the IUPAC name of N,N-dichloropentan-3-amine?
The IUPAC name of N,N-dichloropentan-3-amine (CID 12720695) is N,N-dichloropentan-3-amine.
What is the SMILES notation for N,N-dichloropentan-3-amine?
The canonical SMILES for N,N-dichloropentan-3-amine is CCC(CC)N(Cl)Cl.
What is the InChIKey of N,N-dichloropentan-3-amine?
The InChIKey is UIJUSVLMHNTXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl2N/c1-3-5(4-2)8(6)7/h5H,3-4H2,1-2H3.
What are the key properties of N,N-dichloropentan-3-amine?
N,N-dichloropentan-3-amine has a molecular weight of 156.06 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dichloropentan-3-amine is sourced from PubChem (CID 12720695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).