N-[4-(4-nitrophenyl)butyl]pentan-1-amine;hydrochloride

C15H25ClN2O2 — CID 173432321

IUPACN-[4-(4-nitrophenyl)butyl]pentan-1-amine;hydrochloride
SMILESCCCCCNCCCCc1ccc([N+](=O)[O-])cc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-2-3-5-12-16-13-6-4-7-14-8-10-15(11-9-14)17(18)19;/h8-11,16H,2-7,12-13H2,1H3;1H
InChIKeyUWQPCFAISCGUDY-UHFFFAOYSA-N
MW300.83 g/mol
LogP4.12
Rot. Bonds10

About N-[4-(4-nitrophenyl)butyl]pentan-1-amine;hydrochloride

N-[4-(4-nitrophenyl)butyl]pentan-1-amine;hydrochloride (PubChem CID 173432321) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is N-[4-(4-nitrophenyl)butyl]pentan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[4-(4-nitrophenyl)butyl]pentan-1-amine;hydrochloride
PubChem CID173432321
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC NameN-[4-(4-nitrophenyl)butyl]pentan-1-amine;hydrochloride
SMILESCCCCCNCCCCc1ccc([N+](=O)[O-])cc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-2-3-5-12-16-13-6-4-7-14-8-10-15(11-9-14)17(18)19;/h8-11,16H,2-7,12-13H2,1H3;1H
InChIKeyUWQPCFAISCGUDY-UHFFFAOYSA-N
XLogP4.12
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hexyl-N-[4-(4-nitrophenyl)butyl]hexan-1-amine
CID 12923057
N'-(4-nitrophenyl)-N-pentylethane-1,2-diamine
CID 57007665
5-methyl-N-[2-(4-nitrophenyl)ethyl]hexan-1-amine
CID 115325808
2-methyl-N-[3-(4-nitrophenyl)propyl]propan-1-amine
CID 62549184
5-[2-(4-nitrophenyl)ethylamino]pentan-1-ol
CID 62229014
1-[(4-nitrophenyl)methyl]-4-octylpyridin-1-ium
CID 23338495
2-methyl-1-[4-(4-nitrophenyl)butyl]-3-propylguanidine
CID 111763509
1-butyl-4-[(Z)-2-(4-nitrophenyl)ethenyl]benzene
CID 59899422
ethane;1-nitro-4-propylbenzene
CID 123575523
methanesulfonate;4-(4-nitrophenyl)butyl-dipentylazanium
CID 20534914
3-methylsulfinyl-N-[2-(4-nitrophenyl)ethyl]propan-1-amine
CID 113487445
N-butylbutan-1-amine;4-dodecylbenzenesulfonic acid
CID 173355356

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-nitrophenyl)butyl]pentan-1-amine;hydrochloride?
The IUPAC name of N-[4-(4-nitrophenyl)butyl]pentan-1-amine;hydrochloride (CID 173432321) is N-[4-(4-nitrophenyl)butyl]pentan-1-amine;hydrochloride.
What is the SMILES notation for N-[4-(4-nitrophenyl)butyl]pentan-1-amine;hydrochloride?
The canonical SMILES for N-[4-(4-nitrophenyl)butyl]pentan-1-amine;hydrochloride is CCCCCNCCCCc1ccc([N+](=O)[O-])cc1.Cl.
What is the InChIKey of N-[4-(4-nitrophenyl)butyl]pentan-1-amine;hydrochloride?
The InChIKey is UWQPCFAISCGUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-2-3-5-12-16-13-6-4-7-14-8-10-15(11-9-14)17(18)19;/h8-11,16H,2-7,12-13H2,1H3;1H.
What are the key properties of N-[4-(4-nitrophenyl)butyl]pentan-1-amine;hydrochloride?
N-[4-(4-nitrophenyl)butyl]pentan-1-amine;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 4.12, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-nitrophenyl)butyl]pentan-1-amine;hydrochloride is sourced from PubChem (CID 173432321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).