N-tert-butyl-3,3-dimethyl-2-[2-(2-methylpropoxy)ethyl]butan-1-amine

C16H35NO — CID 106457239

IUPACN-tert-butyl-3,3-dimethyl-2-[2-(2-methylpropoxy)ethyl]butan-1-amine
SMILESCC(C)COCCC(CNC(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H35NO/c1-13(2)12-18-10-9-14(15(3,4)5)11-17-16(6,7)8/h13-14,17H,9-12H2,1-8H3
InChIKeyDYLYAWVUODKUNL-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.10
Rot. Bonds7

About N-tert-butyl-3,3-dimethyl-2-[2-(2-methylpropoxy)ethyl]butan-1-amine

N-tert-butyl-3,3-dimethyl-2-[2-(2-methylpropoxy)ethyl]butan-1-amine (PubChem CID 106457239) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is N-tert-butyl-3,3-dimethyl-2-[2-(2-methylpropoxy)ethyl]butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3,3-dimethyl-2-[2-(2-methylpropoxy)ethyl]butan-1-amine
PubChem CID106457239
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC NameN-tert-butyl-3,3-dimethyl-2-[2-(2-methylpropoxy)ethyl]butan-1-amine
SMILESCC(C)COCCC(CNC(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H35NO/c1-13(2)12-18-10-9-14(15(3,4)5)11-17-16(6,7)8/h13-14,17H,9-12H2,1-8H3
InChIKeyDYLYAWVUODKUNL-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(tert-butylamino)-3-(3-methylbutoxy)propan-2-ol
CID 110181624
N-tert-butyl-4-(2-methylpropoxy)-2-phenylbutan-1-amine
CID 106457005
N,2-ditert-butyl-4-methylpentan-1-amine
CID 83138454
N-tert-butyl-2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine
CID 106457134
2-(3-bromophenyl)-N-tert-butyl-4-(2-methylpropoxy)butan-1-amine
CID 106457162
2-(2-ethoxyethyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 83139517
2-[2-(4-bromophenoxy)ethyl]-N-tert-butyl-3,3-dimethylbutan-1-amine
CID 83141502
N-tert-butyl-2,3-dimethyl-2-[2-(2-methylpropoxy)ethyl]butan-1-amine
CID 106457269
N,2-ditert-butylundecan-1-amine
CID 83138846
N,2-ditert-butyldodecan-1-amine
CID 83141382
N',2-ditert-butylpropane-1,3-diamine
CID 139363560
N-tert-butyl-N'-methyl-N'-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine
CID 106453519

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,3-dimethyl-2-[2-(2-methylpropoxy)ethyl]butan-1-amine?
The IUPAC name of N-tert-butyl-3,3-dimethyl-2-[2-(2-methylpropoxy)ethyl]butan-1-amine (CID 106457239) is N-tert-butyl-3,3-dimethyl-2-[2-(2-methylpropoxy)ethyl]butan-1-amine.
What is the SMILES notation for N-tert-butyl-3,3-dimethyl-2-[2-(2-methylpropoxy)ethyl]butan-1-amine?
The canonical SMILES for N-tert-butyl-3,3-dimethyl-2-[2-(2-methylpropoxy)ethyl]butan-1-amine is CC(C)COCCC(CNC(C)(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-3,3-dimethyl-2-[2-(2-methylpropoxy)ethyl]butan-1-amine?
The InChIKey is DYLYAWVUODKUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-13(2)12-18-10-9-14(15(3,4)5)11-17-16(6,7)8/h13-14,17H,9-12H2,1-8H3.
What are the key properties of N-tert-butyl-3,3-dimethyl-2-[2-(2-methylpropoxy)ethyl]butan-1-amine?
N-tert-butyl-3,3-dimethyl-2-[2-(2-methylpropoxy)ethyl]butan-1-amine has a molecular weight of 257.46 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,3-dimethyl-2-[2-(2-methylpropoxy)ethyl]butan-1-amine is sourced from PubChem (CID 106457239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).