N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine

C22H50N2 — CID 160957267

IUPACN-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine
SMILESCCCCCN(CC)CCCCC.CCCCN(CC)CCCC
InChIInChI=1S/C12H27N.C10H23N/c1-4-7-9-11-13(6-3)12-10-8-5-2;1-4-7-9-11(6-3)10-8-5-2/h4-12H2,1-3H3;4-10H2,1-3H3
InChIKeySWNZXHVIHGOMLB-UHFFFAOYSA-N
MW342.66 g/mol
LogP6.60
Rot. Bonds16

About N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine

N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine (PubChem CID 160957267) has the molecular formula C22H50N2 and a molecular weight of 342.66 g/mol. Its IUPAC name is N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine.

Molecular Properties

Compound NameN-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine
PubChem CID160957267
Molecular FormulaC22H50N2
Molecular Weight342.66 g/mol
Exact Mass342.40
IUPAC NameN-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine
SMILESCCCCCN(CC)CCCCC.CCCCN(CC)CCCC
InChIInChI=1S/C12H27N.C10H23N/c1-4-7-9-11-13(6-3)12-10-8-5-2;1-4-7-9-11(6-3)10-8-5-2/h4-12H2,1-3H3;4-10H2,1-3H3
InChIKeySWNZXHVIHGOMLB-UHFFFAOYSA-N
XLogP6.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.66
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine
CID 19837420
N-ethyl-N-propyldecan-1-amine
CID 56933807
N'-[3-[3-[butyl(ethyl)amino]propyl-ethylamino]propyl]-N,N'-dimethyl-N-[3-[methyl(octyl)amino]propyl]butane-1,4-diamine
CID 91145373
N-ethyl-N-propylbutan-1-amine;pentane
CID 143329949
ethane;N-ethyl-N-propylpropan-1-amine;hexane
CID 167521099
N,N-dibutylpentadecan-1-amine
CID 4175227
N-butyl-N-dodecyldodecan-1-amine;ethane
CID 177188855
N-butyl-N-undecyldodecan-1-amine
CID 168880724
tetrakis(N,N-diethylbutan-1-amine);ethane;methane
CID 157434901
N-ethyl-N,N'-di(nonyl)-N'-propylpropane-1,3-diamine
CID 171750142
N-(2-chloroethyl)-N-ethylhexadecan-1-amine
CID 88604159
N-(2-chloroethyl)-N-ethylheptan-1-amine
CID 63386883

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine?
The IUPAC name of N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine (CID 160957267) is N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine.
What is the SMILES notation for N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine?
The canonical SMILES for N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine is CCCCCN(CC)CCCCC.CCCCN(CC)CCCC.
What is the InChIKey of N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine?
The InChIKey is SWNZXHVIHGOMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.C10H23N/c1-4-7-9-11-13(6-3)12-10-8-5-2;1-4-7-9-11(6-3)10-8-5-2/h4-12H2,1-3H3;4-10H2,1-3H3.
What are the key properties of N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine?
N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine has a molecular weight of 342.66 g/mol, XLogP of 6.60, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine is sourced from PubChem (CID 160957267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).