2,2-dimethyl-N-pentylbutan-1-amine

C11H25N — CID 103698372

IUPAC2,2-dimethyl-N-pentylbutan-1-amine
SMILESCCCCCNCC(C)(C)CC
InChIInChI=1S/C11H25N/c1-5-7-8-9-12-10-11(3,4)6-2/h12H,5-10H2,1-4H3
InChIKeyQWSPPIPBIHBUPK-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.20
Rot. Bonds7

About 2,2-dimethyl-N-pentylbutan-1-amine

2,2-dimethyl-N-pentylbutan-1-amine (PubChem CID 103698372) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is 2,2-dimethyl-N-pentylbutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-pentylbutan-1-amine
PubChem CID103698372
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name2,2-dimethyl-N-pentylbutan-1-amine
SMILESCCCCCNCC(C)(C)CC
InChIInChI=1S/C11H25N/c1-5-7-8-9-12-10-11(3,4)6-2/h12H,5-10H2,1-4H3
InChIKeyQWSPPIPBIHBUPK-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-octadecyloctadecan-1-amine
CID 172556284
N-(3-chloro-2,2-dimethylpropyl)nonan-1-amine
CID 115363470
5-(2,2-dimethylbutylamino)pentanenitrile
CID 103699023
N'-hexyl-N,N,2,2-tetramethylpropane-1,3-diamine
CID 28879474
N-(2,2-dimethylbutyl)hept-6-en-1-amine
CID 107007207
4-(dodecylamino)-3,3-dimethylbutan-1-ol
CID 106146657
2,2-dimethyl-N-(3-methylsulfanylpropyl)butan-1-amine
CID 103699635
1-N-(2,2-dimethylbutyl)hexane-1,5-diamine
CID 103462285
4-(decylamino)-3,3-dimethylbutanenitrile
CID 21082820
N-(3-ethoxy-2,2-dimethylpropyl)hexadecan-1-amine
CID 162756651
N-(2,2-difluoropropyl)heptan-1-amine
CID 157402508
2-methyl-1-(octylamino)propan-2-ol
CID 65103945

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-pentylbutan-1-amine?
The IUPAC name of 2,2-dimethyl-N-pentylbutan-1-amine (CID 103698372) is 2,2-dimethyl-N-pentylbutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-pentylbutan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-pentylbutan-1-amine is CCCCCNCC(C)(C)CC.
What is the InChIKey of 2,2-dimethyl-N-pentylbutan-1-amine?
The InChIKey is QWSPPIPBIHBUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-5-7-8-9-12-10-11(3,4)6-2/h12H,5-10H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-pentylbutan-1-amine?
2,2-dimethyl-N-pentylbutan-1-amine has a molecular weight of 171.33 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-pentylbutan-1-amine is sourced from PubChem (CID 103698372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).