5-chloro-N,N-diethylpentan-1-amine;hydrochloride

C9H21Cl2N — CID 86222829

IUPAC5-chloro-N,N-diethylpentan-1-amine;hydrochloride
SMILESCCN(CC)CCCCCCl.Cl
InChIInChI=1S/C9H20ClN.ClH/c1-3-11(4-2)9-7-5-6-8-10;/h3-9H2,1-2H3;1H
InChIKeyQEJBVLMPPPNUHH-UHFFFAOYSA-N
MW214.18 g/mol
LogP3.16
Rot. Bonds7

About 5-chloro-N,N-diethylpentan-1-amine;hydrochloride

5-chloro-N,N-diethylpentan-1-amine;hydrochloride (PubChem CID 86222829) has the molecular formula C9H21Cl2N and a molecular weight of 214.18 g/mol. Its IUPAC name is 5-chloro-N,N-diethylpentan-1-amine;hydrochloride.

Molecular Properties

Compound Name5-chloro-N,N-diethylpentan-1-amine;hydrochloride
PubChem CID86222829
Molecular FormulaC9H21Cl2N
Molecular Weight214.18 g/mol
Exact Mass213.11
IUPAC Name5-chloro-N,N-diethylpentan-1-amine;hydrochloride
SMILESCCN(CC)CCCCCCl.Cl
InChIInChI=1S/C9H20ClN.ClH/c1-3-11(4-2)9-7-5-6-8-10;/h3-9H2,1-2H3;1H
InChIKeyQEJBVLMPPPNUHH-UHFFFAOYSA-N
XLogP3.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

N'-(5-chloropentyl)-N,N,N'-triethylpropane-1,3-diamine
CID 102996112
8-chloro-N,N-bis(8-chlorooctyl)octan-1-amine
CID 170325577
6-chloro-N-ethyl-N-(2-ethylbutyl)hexan-1-amine
CID 63447266
5-chloro-N-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 61446826
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
N',N'-diethylnonane-1,9-diamine
CID 22055140
3-chloro-N,N-dipropylpropan-1-amine;hydrochloride
CID 19031570
N,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine
CID 19837420
2-chloro-N,N-diethylethanamine;hypochlorous acid
CID 19898497
12-chloro-N,N-dimethyldodecan-1-amine
CID 71338336

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,N-diethylpentan-1-amine;hydrochloride?
The IUPAC name of 5-chloro-N,N-diethylpentan-1-amine;hydrochloride (CID 86222829) is 5-chloro-N,N-diethylpentan-1-amine;hydrochloride.
What is the SMILES notation for 5-chloro-N,N-diethylpentan-1-amine;hydrochloride?
The canonical SMILES for 5-chloro-N,N-diethylpentan-1-amine;hydrochloride is CCN(CC)CCCCCCl.Cl.
What is the InChIKey of 5-chloro-N,N-diethylpentan-1-amine;hydrochloride?
The InChIKey is QEJBVLMPPPNUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClN.ClH/c1-3-11(4-2)9-7-5-6-8-10;/h3-9H2,1-2H3;1H.
What are the key properties of 5-chloro-N,N-diethylpentan-1-amine;hydrochloride?
5-chloro-N,N-diethylpentan-1-amine;hydrochloride has a molecular weight of 214.18 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,N-diethylpentan-1-amine;hydrochloride is sourced from PubChem (CID 86222829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).