N-butyl-N-(2-hexoxyethyl)butan-1-amine;hydrochloride

C16H36ClNO — CID 131884842

IUPACN-butyl-N-(2-hexoxyethyl)butan-1-amine;hydrochloride
SMILESCCCCCCOCCN(CCCC)CCCC.Cl
InChIInChI=1S/C16H35NO.ClH/c1-4-7-10-11-15-18-16-14-17(12-8-5-2)13-9-6-3;/h4-16H2,1-3H3;1H
InChIKeyADNVBWOYSCOBHZ-UHFFFAOYSA-N
MW293.92 g/mol
LogP4.91
Rot. Bonds14

About N-butyl-N-(2-hexoxyethyl)butan-1-amine;hydrochloride

N-butyl-N-(2-hexoxyethyl)butan-1-amine;hydrochloride (PubChem CID 131884842) has the molecular formula C16H36ClNO and a molecular weight of 293.92 g/mol. Its IUPAC name is N-butyl-N-(2-hexoxyethyl)butan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-butyl-N-(2-hexoxyethyl)butan-1-amine;hydrochloride
PubChem CID131884842
Molecular FormulaC16H36ClNO
Molecular Weight293.92 g/mol
Exact Mass293.25
IUPAC NameN-butyl-N-(2-hexoxyethyl)butan-1-amine;hydrochloride
SMILESCCCCCCOCCN(CCCC)CCCC.Cl
InChIInChI=1S/C16H35NO.ClH/c1-4-7-10-11-15-18-16-14-17(12-8-5-2)13-9-6-3;/h4-16H2,1-3H3;1H
InChIKeyADNVBWOYSCOBHZ-UHFFFAOYSA-N
XLogP4.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.92
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butyl-N-(2-hexoxyethyl)butan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hypochlorous acid;2-octoxy-N,N-bis(2-octoxyethyl)ethanamine
CID 88657815
2-[2-hydroxyethyl(2-octadecoxyethyl)amino]ethanol
CID 57180340
N-butyl-N-[2-[2-(diethylamino)ethoxy]ethyl]butan-1-amine
CID 19822695
N-(3-butoxypropyl)-N-butylbutan-1-amine
CID 152720768
2-[3-dodecoxypropyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol
CID 3020326
1-decoxydecane;hydrochloride
CID 172747457
N,N-bis(2-ethoxyethyl)butan-1-amine
CID 91213413
2-[6-heptoxyhexyl(heptyl)amino]ethanol
CID 167511093
2-[2-butoxyethyl(butyl)amino]ethanol
CID 62016788
3-[3-hydroxypropyl(3-octadecoxypropyl)amino]propan-1-ol
CID 14389695
2-[2-hydroxyethyl(3-undecoxypropyl)amino]ethanol
CID 71328174
N-dodecyl-N-[2-(2-fluoroethoxy)ethyl]dodecan-1-amine
CID 91475328

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hexoxyethyl)butan-1-amine;hydrochloride?
The IUPAC name of N-butyl-N-(2-hexoxyethyl)butan-1-amine;hydrochloride (CID 131884842) is N-butyl-N-(2-hexoxyethyl)butan-1-amine;hydrochloride.
What is the SMILES notation for N-butyl-N-(2-hexoxyethyl)butan-1-amine;hydrochloride?
The canonical SMILES for N-butyl-N-(2-hexoxyethyl)butan-1-amine;hydrochloride is CCCCCCOCCN(CCCC)CCCC.Cl.
What is the InChIKey of N-butyl-N-(2-hexoxyethyl)butan-1-amine;hydrochloride?
The InChIKey is ADNVBWOYSCOBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO.ClH/c1-4-7-10-11-15-18-16-14-17(12-8-5-2)13-9-6-3;/h4-16H2,1-3H3;1H.
What are the key properties of N-butyl-N-(2-hexoxyethyl)butan-1-amine;hydrochloride?
N-butyl-N-(2-hexoxyethyl)butan-1-amine;hydrochloride has a molecular weight of 293.92 g/mol, XLogP of 4.91, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hexoxyethyl)butan-1-amine;hydrochloride is sourced from PubChem (CID 131884842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).