N'-(5-chloropentyl)-N,N,N'-triethylpropane-1,3-diamine

C14H31ClN2 — CID 102996112

IUPACN'-(5-chloropentyl)-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)CCCCCCl
InChIInChI=1S/C14H31ClN2/c1-4-16(5-2)13-10-14-17(6-3)12-9-7-8-11-15/h4-14H2,1-3H3
InChIKeyZCQACXTULRBFER-UHFFFAOYSA-N
MW262.87 g/mol
LogP3.45
Rot. Bonds12

About N'-(5-chloropentyl)-N,N,N'-triethylpropane-1,3-diamine

N'-(5-chloropentyl)-N,N,N'-triethylpropane-1,3-diamine (PubChem CID 102996112) has the molecular formula C14H31ClN2 and a molecular weight of 262.87 g/mol. Its IUPAC name is N'-(5-chloropentyl)-N,N,N'-triethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-chloropentyl)-N,N,N'-triethylpropane-1,3-diamine
PubChem CID102996112
Molecular FormulaC14H31ClN2
Molecular Weight262.87 g/mol
Exact Mass262.22
IUPAC NameN'-(5-chloropentyl)-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)CCCCCCl
InChIInChI=1S/C14H31ClN2/c1-4-16(5-2)13-10-14-17(6-3)12-9-7-8-11-15/h4-14H2,1-3H3
InChIKeyZCQACXTULRBFER-UHFFFAOYSA-N
XLogP3.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.87
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

5-chloro-N,N-diethylpentan-1-amine;hydrochloride
CID 86222829
5-chloro-N-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 61446826
N,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine
CID 19837420
N',N'-bis(2-chloroethyl)-N,N-diethylpropane-1,3-diamine
CID 3022030
N-(2-chloroethyl)-N-ethylhexadecan-1-amine
CID 88604159
N-(2-chloroethyl)-N-ethylheptan-1-amine
CID 63386883
8-chloro-N,N-bis(8-chlorooctyl)octan-1-amine
CID 170325577
6-chloro-N-ethyl-N-(2-ethylbutyl)hexan-1-amine
CID 63447266
6-[6-(diethylamino)hexyl-ethylamino]hexan-1-ol
CID 125481029
N,N,N',N'-tetrakis[3-[bis(3-chloropropyl)amino]propyl]butane-1,4-diamine
CID 58300630
N-ethyl-N,N'-di(nonyl)-N'-propylpropane-1,3-diamine
CID 171750142
N',N'-diethylnonane-1,9-diamine
CID 22055140

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloropentyl)-N,N,N'-triethylpropane-1,3-diamine?
The IUPAC name of N'-(5-chloropentyl)-N,N,N'-triethylpropane-1,3-diamine (CID 102996112) is N'-(5-chloropentyl)-N,N,N'-triethylpropane-1,3-diamine.
What is the SMILES notation for N'-(5-chloropentyl)-N,N,N'-triethylpropane-1,3-diamine?
The canonical SMILES for N'-(5-chloropentyl)-N,N,N'-triethylpropane-1,3-diamine is CCN(CC)CCCN(CC)CCCCCCl.
What is the InChIKey of N'-(5-chloropentyl)-N,N,N'-triethylpropane-1,3-diamine?
The InChIKey is ZCQACXTULRBFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31ClN2/c1-4-16(5-2)13-10-14-17(6-3)12-9-7-8-11-15/h4-14H2,1-3H3.
What are the key properties of N'-(5-chloropentyl)-N,N,N'-triethylpropane-1,3-diamine?
N'-(5-chloropentyl)-N,N,N'-triethylpropane-1,3-diamine has a molecular weight of 262.87 g/mol, XLogP of 3.45, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloropentyl)-N,N,N'-triethylpropane-1,3-diamine is sourced from PubChem (CID 102996112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).