N-butyl-N-propan-2-ylbutan-1-amine;ethane

C13H31N — CID 143004745

IUPACN-butyl-N-propan-2-ylbutan-1-amine;ethane
SMILESCC.CCCCN(CCCC)C(C)C
InChIInChI=1S/C11H25N.C2H6/c1-5-7-9-12(11(3)4)10-8-6-2;1-2/h11H,5-10H2,1-4H3;1-2H3
InChIKeyMJUFUINZFKPCJL-UHFFFAOYSA-N
MW201.40 g/mol
LogP4.32
Rot. Bonds7

About N-butyl-N-propan-2-ylbutan-1-amine;ethane

N-butyl-N-propan-2-ylbutan-1-amine;ethane (PubChem CID 143004745) has the molecular formula C13H31N and a molecular weight of 201.40 g/mol. Its IUPAC name is N-butyl-N-propan-2-ylbutan-1-amine;ethane.

Molecular Properties

Compound NameN-butyl-N-propan-2-ylbutan-1-amine;ethane
PubChem CID143004745
Molecular FormulaC13H31N
Molecular Weight201.40 g/mol
Exact Mass201.25
IUPAC NameN-butyl-N-propan-2-ylbutan-1-amine;ethane
SMILESCC.CCCCN(CCCC)C(C)C
InChIInChI=1S/C11H25N.C2H6/c1-5-7-9-12(11(3)4)10-8-6-2;1-2/h11H,5-10H2,1-4H3;1-2H3
InChIKeyMJUFUINZFKPCJL-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.40
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride
CID 173040344
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
[butyl(propan-2-yl)amino]methyl-methylazanide;ethane;yttrium
CID 176693510
N-(3-chloropropyl)-N-propan-2-yldecan-1-amine
CID 55183302
(2S)-N,N-dibutylhexan-2-amine
CID 124633708
1-N',1-N'-dibutylethane-1,1-diamine
CID 22600656
N-(cyclopropylmethyl)-N-propan-2-ylbutan-1-amine
CID 170060972
5-[pentyl(propan-2-yl)amino]pentanenitrile
CID 55208074
N,N-di(propan-2-yl)butan-1-amine
CID 11062646
N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine
CID 59980738
N,N-dibutylpentan-2-amine;hydrate
CID 172857272
3-methyl-1-N-pentyl-1-N-propan-2-ylbutane-1,3-diamine
CID 64681832

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-propan-2-ylbutan-1-amine;ethane?
The IUPAC name of N-butyl-N-propan-2-ylbutan-1-amine;ethane (CID 143004745) is N-butyl-N-propan-2-ylbutan-1-amine;ethane.
What is the SMILES notation for N-butyl-N-propan-2-ylbutan-1-amine;ethane?
The canonical SMILES for N-butyl-N-propan-2-ylbutan-1-amine;ethane is CC.CCCCN(CCCC)C(C)C.
What is the InChIKey of N-butyl-N-propan-2-ylbutan-1-amine;ethane?
The InChIKey is MJUFUINZFKPCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N.C2H6/c1-5-7-9-12(11(3)4)10-8-6-2;1-2/h11H,5-10H2,1-4H3;1-2H3.
What are the key properties of N-butyl-N-propan-2-ylbutan-1-amine;ethane?
N-butyl-N-propan-2-ylbutan-1-amine;ethane has a molecular weight of 201.40 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-propan-2-ylbutan-1-amine;ethane is sourced from PubChem (CID 143004745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).