N,2,2-trimethyloctan-1-amine

C11H25N — CID 62723717

IUPACN,2,2-trimethyloctan-1-amine
SMILESCCCCCCC(C)(C)CNC
InChIInChI=1S/C11H25N/c1-5-6-7-8-9-11(2,3)10-12-4/h12H,5-10H2,1-4H3
InChIKeyBVFQTCZHEBNAPO-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.20
Rot. Bonds7

About N,2,2-trimethyloctan-1-amine

N,2,2-trimethyloctan-1-amine (PubChem CID 62723717) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is N,2,2-trimethyloctan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyloctan-1-amine
PubChem CID62723717
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC NameN,2,2-trimethyloctan-1-amine
SMILESCCCCCCC(C)(C)CNC
InChIInChI=1S/C11H25N/c1-5-6-7-8-9-11(2,3)10-12-4/h12H,5-10H2,1-4H3
InChIKeyBVFQTCZHEBNAPO-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

N,3,3-trimethyldecan-1-amine
CID 81022297
N,3,3-trimethylpentadecan-1-amine
CID 81023479
16,16,21,21-tetramethylhexatriacontane
CID 174880889
2,2-dimethyl-N-octadecyloctadecan-1-amine
CID 172556284
2-ethyl-N,2-dimethylundecan-1-amine
CID 63508847
2-methyl-1-(methylamino)undecan-2-ol
CID 66039125
2,2-dimethyl-N-propyltetradecan-1-amine
CID 63521984
2,2-dimethyl-N-propyloctan-1-amine
CID 63522518
N,2-dimethyl-2-propan-2-yloctan-1-amine
CID 83159293
3,3-dimethylpentadecane
CID 86034940
3,3-dimethyldodecane
CID 15930786
3,3-dimethylpentadecan-1-amine
CID 81014127

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyloctan-1-amine?
The IUPAC name of N,2,2-trimethyloctan-1-amine (CID 62723717) is N,2,2-trimethyloctan-1-amine.
What is the SMILES notation for N,2,2-trimethyloctan-1-amine?
The canonical SMILES for N,2,2-trimethyloctan-1-amine is CCCCCCC(C)(C)CNC.
What is the InChIKey of N,2,2-trimethyloctan-1-amine?
The InChIKey is BVFQTCZHEBNAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-5-6-7-8-9-11(2,3)10-12-4/h12H,5-10H2,1-4H3.
What are the key properties of N,2,2-trimethyloctan-1-amine?
N,2,2-trimethyloctan-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 N,2,2-trimethyloctan-1-amine is sourced from PubChem (CID 62723717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).