N-tert-butyl-2-methyl-2-propan-2-yldecan-1-amine

C18H39N — CID 83151435

IUPACN-tert-butyl-2-methyl-2-propan-2-yldecan-1-amine
SMILESCCCCCCCCC(C)(CNC(C)(C)C)C(C)C
InChIInChI=1S/C18H39N/c1-8-9-10-11-12-13-14-18(7,16(2)3)15-19-17(4,5)6/h16,19H,8-15H2,1-7H3
InChIKeyWKEZCLULPQQMOK-UHFFFAOYSA-N
MW269.52 g/mol
LogP5.79
Rot. Bonds10

About N-tert-butyl-2-methyl-2-propan-2-yldecan-1-amine

N-tert-butyl-2-methyl-2-propan-2-yldecan-1-amine (PubChem CID 83151435) has the molecular formula C18H39N and a molecular weight of 269.52 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-2-propan-2-yldecan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-2-propan-2-yldecan-1-amine
PubChem CID83151435
Molecular FormulaC18H39N
Molecular Weight269.52 g/mol
Exact Mass269.31
IUPAC NameN-tert-butyl-2-methyl-2-propan-2-yldecan-1-amine
SMILESCCCCCCCCC(C)(CNC(C)(C)C)C(C)C
InChIInChI=1S/C18H39N/c1-8-9-10-11-12-13-14-18(7,16(2)3)15-19-17(4,5)6/h16,19H,8-15H2,1-7H3
InChIKeyWKEZCLULPQQMOK-UHFFFAOYSA-N
XLogP5.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.52
LogP ≤ 55.79
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-tert-butyl-2-methyl-2-propan-2-ylheptan-1-amine
CID 83150707
N,2-dimethyl-2-propan-2-yloctan-1-amine
CID 83159293
2-methyl-2-propan-2-yl-N-propyloctan-1-amine
CID 83159495
6-methyl-6-propan-2-ylundecane
CID 87930599
3-ethyl-2,3-dimethyldecane
CID 57491701
3-ethyl-2,3-dimethylnonane
CID 57490996
N-(2-methoxyethyl)-2-methyl-2-propan-2-yldecan-1-amine
CID 83150997
1-(tert-butylamino)-2-methylnonan-2-ol
CID 62774519
N-tert-butyl-2,3-dimethyl-2-(2-propylsulfonylethyl)butan-1-amine
CID 106730349
N-tert-butyl-2-ethyl-2-methylheptan-1-amine
CID 63508148
N-tert-butyl-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83151556
2,3,3-trimethyloctadecane
CID 90966938

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-2-propan-2-yldecan-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-2-propan-2-yldecan-1-amine (CID 83151435) is N-tert-butyl-2-methyl-2-propan-2-yldecan-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-2-propan-2-yldecan-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-2-propan-2-yldecan-1-amine is CCCCCCCCC(C)(CNC(C)(C)C)C(C)C.
What is the InChIKey of N-tert-butyl-2-methyl-2-propan-2-yldecan-1-amine?
The InChIKey is WKEZCLULPQQMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N/c1-8-9-10-11-12-13-14-18(7,16(2)3)15-19-17(4,5)6/h16,19H,8-15H2,1-7H3.
What are the key properties of N-tert-butyl-2-methyl-2-propan-2-yldecan-1-amine?
N-tert-butyl-2-methyl-2-propan-2-yldecan-1-amine has a molecular weight of 269.52 g/mol, XLogP of 5.79, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-2-propan-2-yldecan-1-amine is sourced from PubChem (CID 83151435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).