N-(3,3-dimethylbutyl)-2,5,9,9-tetramethyl-8-methylidenedecan-2-amine

C21H43N — CID 126571138

IUPACN-(3,3-dimethylbutyl)-2,5,9,9-tetramethyl-8-methylidenedecan-2-amine
SMILESC=C(CCC(C)CCC(C)(C)NCCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C21H43N/c1-17(11-12-18(2)20(6,7)8)13-14-21(9,10)22-16-15-19(3,4)5/h17,22H,2,11-16H2,1,3-10H3
InChIKeyHRBQKSDDHGCALY-UHFFFAOYSA-N
MW309.58 g/mol
LogP6.59
Rot. Bonds9

About N-(3,3-dimethylbutyl)-2,5,9,9-tetramethyl-8-methylidenedecan-2-amine

N-(3,3-dimethylbutyl)-2,5,9,9-tetramethyl-8-methylidenedecan-2-amine (PubChem CID 126571138) has the molecular formula C21H43N and a molecular weight of 309.58 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-2,5,9,9-tetramethyl-8-methylidenedecan-2-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-2,5,9,9-tetramethyl-8-methylidenedecan-2-amine
PubChem CID126571138
Molecular FormulaC21H43N
Molecular Weight309.58 g/mol
Exact Mass309.34
IUPAC NameN-(3,3-dimethylbutyl)-2,5,9,9-tetramethyl-8-methylidenedecan-2-amine
SMILESC=C(CCC(C)CCC(C)(C)NCCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C21H43N/c1-17(11-12-18(2)20(6,7)8)13-14-21(9,10)22-16-15-19(3,4)5/h17,22H,2,11-16H2,1,3-10H3
InChIKeyHRBQKSDDHGCALY-UHFFFAOYSA-N
XLogP6.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.58
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(3,3-dimethylbutyl)-2,5,9,9-tetramethyl-8-methylidenedecan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-5,5-dimethyl-4-methylidenehexan-1-amine
CID 164971223
2,5,5-trimethylhexan-1-ol
CID 3020914
3,6,6-trimethyl-N-(2-methylpropyl)heptan-1-amine
CID 81019110
N-tert-butyl-2,5,5-trimethylhexan-1-amine
CID 62529296
4-(3,3-dimethylbutylamino)-3-methylbutan-1-ol
CID 66092499
2,2,5-trimethyldodecane
CID 54169953
1-[(4-amino-2-methylbutan-2-yl)amino]propan-2-ol
CID 174707457
N,5,5-trimethyl-N-propan-2-ylhex-1-en-2-amine
CID 126704307
N-(2-iodopropan-2-yl)-3,3-dimethylbutan-1-amine
CID 149320060
4-chloro-N-(3-methoxy-3-methylbutyl)-2-methylbutan-2-amine
CID 103037274
2,2-dimethyl-3-methylidenepentane;ethene
CID 145286133
2,5,5-trimethyl-N-propan-2-ylhexan-1-amine
CID 62530891

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-2,5,9,9-tetramethyl-8-methylidenedecan-2-amine?
The IUPAC name of N-(3,3-dimethylbutyl)-2,5,9,9-tetramethyl-8-methylidenedecan-2-amine (CID 126571138) is N-(3,3-dimethylbutyl)-2,5,9,9-tetramethyl-8-methylidenedecan-2-amine.
What is the SMILES notation for N-(3,3-dimethylbutyl)-2,5,9,9-tetramethyl-8-methylidenedecan-2-amine?
The canonical SMILES for N-(3,3-dimethylbutyl)-2,5,9,9-tetramethyl-8-methylidenedecan-2-amine is C=C(CCC(C)CCC(C)(C)NCCC(C)(C)C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutyl)-2,5,9,9-tetramethyl-8-methylidenedecan-2-amine?
The InChIKey is HRBQKSDDHGCALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N/c1-17(11-12-18(2)20(6,7)8)13-14-21(9,10)22-16-15-19(3,4)5/h17,22H,2,11-16H2,1,3-10H3.
What are the key properties of N-(3,3-dimethylbutyl)-2,5,9,9-tetramethyl-8-methylidenedecan-2-amine?
N-(3,3-dimethylbutyl)-2,5,9,9-tetramethyl-8-methylidenedecan-2-amine has a molecular weight of 309.58 g/mol, XLogP of 6.59, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-2,5,9,9-tetramethyl-8-methylidenedecan-2-amine is sourced from PubChem (CID 126571138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).