N-(3,3-dimethylbut-1-en-2-yl)-8-methylnonan-1-amine

C16H33N — CID 166800769

IUPACN-(3,3-dimethylbut-1-en-2-yl)-8-methylnonan-1-amine
SMILESC=C(NCCCCCCCC(C)C)C(C)(C)C
InChIInChI=1S/C16H33N/c1-14(2)12-10-8-7-9-11-13-17-15(3)16(4,5)6/h14,17H,3,7-13H2,1-2,4-6H3
InChIKeyKABQHLOKXGFFHY-UHFFFAOYSA-N
MW239.45 g/mol
LogP5.13
Rot. Bonds9

About N-(3,3-dimethylbut-1-en-2-yl)-8-methylnonan-1-amine

N-(3,3-dimethylbut-1-en-2-yl)-8-methylnonan-1-amine (PubChem CID 166800769) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-(3,3-dimethylbut-1-en-2-yl)-8-methylnonan-1-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbut-1-en-2-yl)-8-methylnonan-1-amine
PubChem CID166800769
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-(3,3-dimethylbut-1-en-2-yl)-8-methylnonan-1-amine
SMILESC=C(NCCCCCCCC(C)C)C(C)(C)C
InChIInChI=1S/C16H33N/c1-14(2)12-10-8-7-9-11-13-17-15(3)16(4,5)6/h14,17H,3,7-13H2,1-2,4-6H3
InChIKeyKABQHLOKXGFFHY-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.45
LogP ≤ 55.13
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

8-methyl-N-(5-methylhex-1-en-2-yl)nonan-1-amine
CID 167085291
N-(3,3-dimethylbut-1-en-2-yl)-5,5-dimethylhexan-1-amine
CID 130193024
2-hydroxy-2-methyl-N-(5-methylhexyl)propanamide
CID 103430276
N-(3,3-dimethylbut-1-en-2-yl)-2-methyloctan-1-amine
CID 167191899
5-methyl-N-(4-methylpent-1-en-2-yl)hexan-1-amine
CID 139520172
14-methyl-N-(4-methylpentyl)pentadec-1-en-2-amine
CID 170250998
tert-butyl N-(6-methylheptyl)carbamate
CID 143166499
2-methyl-N-(6-methylheptyl)propanamide
CID 139441078
N-hept-1-en-2-yl-6-methylheptan-1-amine
CID 155148528
3-amino-2,2,3-trimethyl-N-(7-methyloctyl)butanamide
CID 65269830
1-(2,2-dimethylpropyl)-3-(6-methylheptyl)urea
CID 156566869
1-methyl-3-(7-methyloctyl)urea
CID 71899901

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)-8-methylnonan-1-amine?
The IUPAC name of N-(3,3-dimethylbut-1-en-2-yl)-8-methylnonan-1-amine (CID 166800769) is N-(3,3-dimethylbut-1-en-2-yl)-8-methylnonan-1-amine.
What is the SMILES notation for N-(3,3-dimethylbut-1-en-2-yl)-8-methylnonan-1-amine?
The canonical SMILES for N-(3,3-dimethylbut-1-en-2-yl)-8-methylnonan-1-amine is C=C(NCCCCCCCC(C)C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbut-1-en-2-yl)-8-methylnonan-1-amine?
The InChIKey is KABQHLOKXGFFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-14(2)12-10-8-7-9-11-13-17-15(3)16(4,5)6/h14,17H,3,7-13H2,1-2,4-6H3.
What are the key properties of N-(3,3-dimethylbut-1-en-2-yl)-8-methylnonan-1-amine?
N-(3,3-dimethylbut-1-en-2-yl)-8-methylnonan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 5.13, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbut-1-en-2-yl)-8-methylnonan-1-amine is sourced from PubChem (CID 166800769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).