N-(3,3-dimethylbutan-2-yl)-N,2,3,3,6,6-hexamethyl-4-methylideneheptan-2-amine

C20H41N — CID 170276069

IUPACN-(3,3-dimethylbutan-2-yl)-N,2,3,3,6,6-hexamethyl-4-methylideneheptan-2-amine
SMILESC=C(CC(C)(C)C)C(C)(C)C(C)(C)N(C)C(C)C(C)(C)C
InChIInChI=1S/C20H41N/c1-15(14-17(3,4)5)19(9,10)20(11,12)21(13)16(2)18(6,7)8/h16H,1,14H2,2-13H3
InChIKeySUVLXXKKQWYSCG-UHFFFAOYSA-N
MW295.56 g/mol
LogP6.15
Rot. Bonds5

About N-(3,3-dimethylbutan-2-yl)-N,2,3,3,6,6-hexamethyl-4-methylideneheptan-2-amine

N-(3,3-dimethylbutan-2-yl)-N,2,3,3,6,6-hexamethyl-4-methylideneheptan-2-amine (PubChem CID 170276069) has the molecular formula C20H41N and a molecular weight of 295.56 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-N,2,3,3,6,6-hexamethyl-4-methylideneheptan-2-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-N,2,3,3,6,6-hexamethyl-4-methylideneheptan-2-amine
PubChem CID170276069
Molecular FormulaC20H41N
Molecular Weight295.56 g/mol
Exact Mass295.32
IUPAC NameN-(3,3-dimethylbutan-2-yl)-N,2,3,3,6,6-hexamethyl-4-methylideneheptan-2-amine
SMILESC=C(CC(C)(C)C)C(C)(C)C(C)(C)N(C)C(C)C(C)(C)C
InChIInChI=1S/C20H41N/c1-15(14-17(3,4)5)19(9,10)20(11,12)21(13)16(2)18(6,7)8/h16H,1,14H2,2-13H3
InChIKeySUVLXXKKQWYSCG-UHFFFAOYSA-N
XLogP6.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(3,3-dimethylbutan-2-yl)-N,2,3,3,6,6-hexamethyl-4-methylideneheptan-2-amine with MolForge

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-N,2,4,4-tetramethylpentan-2-amine
CID 91229612
N-[(2S)-3,3-dimethylbutan-2-yl]-N-ethylacetamide
CID 126737316
2-[3,3-dimethylbutan-2-yl(methyl)amino]-2,4-dimethylpentanoic acid
CID 114998070
(2S)-1-N-(3,3-dimethylbutan-2-yl)-1-N-methylpropane-1,2-diamine
CID 103934582
N-(3,3-dimethylbutan-2-yl)-N-methylcarbamoyl chloride
CID 79887073
3,6,6-trimethyl-4-methylidenehept-1-ene
CID 71395032
1-[2,2-dimethylpropyl(methyl)amino]ethanol
CID 154651537
N,N-ditert-butyl-4,4-dimethylpent-1-en-2-amine
CID 159964580
2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylpropanamide
CID 60948231
N-(2-hydroxypropyl)-N,3,3-trimethylbutanamide
CID 62335118
2,4,6,6-tetramethylhept-3-ene
CID 76726617
(2S)-2-amino-N-[2-[3,3-dimethylbutan-2-yl(methyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82962169

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-N,2,3,3,6,6-hexamethyl-4-methylideneheptan-2-amine?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-N,2,3,3,6,6-hexamethyl-4-methylideneheptan-2-amine (CID 170276069) is N-(3,3-dimethylbutan-2-yl)-N,2,3,3,6,6-hexamethyl-4-methylideneheptan-2-amine.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-N,2,3,3,6,6-hexamethyl-4-methylideneheptan-2-amine?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-N,2,3,3,6,6-hexamethyl-4-methylideneheptan-2-amine is C=C(CC(C)(C)C)C(C)(C)C(C)(C)N(C)C(C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-N,2,3,3,6,6-hexamethyl-4-methylideneheptan-2-amine?
The InChIKey is SUVLXXKKQWYSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N/c1-15(14-17(3,4)5)19(9,10)20(11,12)21(13)16(2)18(6,7)8/h16H,1,14H2,2-13H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-N,2,3,3,6,6-hexamethyl-4-methylideneheptan-2-amine?
N-(3,3-dimethylbutan-2-yl)-N,2,3,3,6,6-hexamethyl-4-methylideneheptan-2-amine has a molecular weight of 295.56 g/mol, XLogP of 6.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-N,2,3,3,6,6-hexamethyl-4-methylideneheptan-2-amine is sourced from PubChem (CID 170276069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).