N-(2-chloroethyl)pentan-1-amine;hydrochloride

C7H17Cl2N — CID 173239828

IUPACN-(2-chloroethyl)pentan-1-amine;hydrochloride
SMILESCCCCCNCCCl.Cl
InChIInChI=1S/C7H16ClN.ClH/c1-2-3-4-6-9-7-5-8;/h9H,2-7H2,1H3;1H
InChIKeyVWJLMQYVOHOVRA-UHFFFAOYSA-N
MW186.13 g/mol
LogP2.43
Rot. Bonds6

About N-(2-chloroethyl)pentan-1-amine;hydrochloride

N-(2-chloroethyl)pentan-1-amine;hydrochloride (PubChem CID 173239828) has the molecular formula C7H17Cl2N and a molecular weight of 186.13 g/mol. Its IUPAC name is N-(2-chloroethyl)pentan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-chloroethyl)pentan-1-amine;hydrochloride
PubChem CID173239828
Molecular FormulaC7H17Cl2N
Molecular Weight186.13 g/mol
Exact Mass185.07
IUPAC NameN-(2-chloroethyl)pentan-1-amine;hydrochloride
SMILESCCCCCNCCCl.Cl
InChIInChI=1S/C7H16ClN.ClH/c1-2-3-4-6-9-7-5-8;/h9H,2-7H2,1H3;1H
InChIKeyVWJLMQYVOHOVRA-UHFFFAOYSA-N
XLogP2.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 52.43
H-Bond Donors ≤ 51
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-pentylpentan-1-amine;hydrochloride
CID 520044
N-docosyldocosan-1-amine;hydrochloride
CID 173181498
N-hexylhexan-1-amine;hydrochloride
CID 519999
N-octylnonan-1-amine;hydrochloride
CID 90480847
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-pentylpentan-1-amine;sulfane
CID 173223078
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-butyltetradecan-1-amine
CID 3548872
methane;N-octyloctan-1-amine
CID 87294693

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)pentan-1-amine;hydrochloride?
The IUPAC name of N-(2-chloroethyl)pentan-1-amine;hydrochloride (CID 173239828) is N-(2-chloroethyl)pentan-1-amine;hydrochloride.
What is the SMILES notation for N-(2-chloroethyl)pentan-1-amine;hydrochloride?
The canonical SMILES for N-(2-chloroethyl)pentan-1-amine;hydrochloride is CCCCCNCCCl.Cl.
What is the InChIKey of N-(2-chloroethyl)pentan-1-amine;hydrochloride?
The InChIKey is VWJLMQYVOHOVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16ClN.ClH/c1-2-3-4-6-9-7-5-8;/h9H,2-7H2,1H3;1H.
What are the key properties of N-(2-chloroethyl)pentan-1-amine;hydrochloride?
N-(2-chloroethyl)pentan-1-amine;hydrochloride has a molecular weight of 186.13 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)pentan-1-amine;hydrochloride is sourced from PubChem (CID 173239828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).