N-tert-butyl-N,7,7-trimethyl-6-methylideneoctan-1-amine

C16H33N — CID 170257114

IUPACN-tert-butyl-N,7,7-trimethyl-6-methylideneoctan-1-amine
SMILESC=C(CCCCCN(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H33N/c1-14(15(2,3)4)12-10-9-11-13-17(8)16(5,6)7/h1,9-13H2,2-8H3
InChIKeyRPNQPTKXXDRRBN-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.88
Rot. Bonds6

About N-tert-butyl-N,7,7-trimethyl-6-methylideneoctan-1-amine

N-tert-butyl-N,7,7-trimethyl-6-methylideneoctan-1-amine (PubChem CID 170257114) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-tert-butyl-N,7,7-trimethyl-6-methylideneoctan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-N,7,7-trimethyl-6-methylideneoctan-1-amine
PubChem CID170257114
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-tert-butyl-N,7,7-trimethyl-6-methylideneoctan-1-amine
SMILESC=C(CCCCCN(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H33N/c1-14(15(2,3)4)12-10-9-11-13-17(8)16(5,6)7/h1,9-13H2,2-8H3
InChIKeyRPNQPTKXXDRRBN-UHFFFAOYSA-N
XLogP4.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[tert-butyl(methyl)amino]pentan-1-ol
CID 23381575
N-buta-1,3-dien-2-yl-N-ethyl-7,7-dimethyl-6-methylideneoctan-1-amine
CID 167148339
N-tert-butyl-N,7,7-trimethyloctan-1-amine
CID 176737662
N-tert-butyl-4-[4-[tert-butyl(methyl)amino]butoxy]-N-methylbutan-1-amine
CID 21049167
2-[4-[2-hydroxypropan-2-yl(methyl)amino]butyl-methylamino]propan-2-ol
CID 11470310
N-tert-butyl-5,5-dimethyl-4-methylidenehexan-1-amine
CID 164971223
N-tert-butyl-N-methylbutan-1-amine;2-methylpropane
CID 158127405
1-[dodecyl(methyl)amino]ethane-1,1-diol;hydrochloride
CID 173001093
2-methyl-3-methylidenehenicosan-2-amine
CID 118467610
N-methyl-6-methylidene-N-octyloctadecan-1-amine
CID 154642833
2-[heptyl(methyl)amino]-2-methylpropan-1-ol
CID 115644310
(3R)-3-(6,6-dimethyl-5-methylideneheptyl)dithiolane
CID 58416612

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N,7,7-trimethyl-6-methylideneoctan-1-amine?
The IUPAC name of N-tert-butyl-N,7,7-trimethyl-6-methylideneoctan-1-amine (CID 170257114) is N-tert-butyl-N,7,7-trimethyl-6-methylideneoctan-1-amine.
What is the SMILES notation for N-tert-butyl-N,7,7-trimethyl-6-methylideneoctan-1-amine?
The canonical SMILES for N-tert-butyl-N,7,7-trimethyl-6-methylideneoctan-1-amine is C=C(CCCCCN(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N,7,7-trimethyl-6-methylideneoctan-1-amine?
The InChIKey is RPNQPTKXXDRRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-14(15(2,3)4)12-10-9-11-13-17(8)16(5,6)7/h1,9-13H2,2-8H3.
What are the key properties of N-tert-butyl-N,7,7-trimethyl-6-methylideneoctan-1-amine?
N-tert-butyl-N,7,7-trimethyl-6-methylideneoctan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N,7,7-trimethyl-6-methylideneoctan-1-amine is sourced from PubChem (CID 170257114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).