N,N-ditert-butyl-4,4-dimethylpent-1-en-2-amine

C15H31N — CID 159964580

IUPACN,N-ditert-butyl-4,4-dimethylpent-1-en-2-amine
SMILESC=C(CC(C)(C)C)N(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H31N/c1-12(11-13(2,3)4)16(14(5,6)7)15(8,9)10/h1,11H2,2-10H3
InChIKeyODTOKBLPXTUGQA-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.84
Rot. Bonds2

About N,N-ditert-butyl-4,4-dimethylpent-1-en-2-amine

N,N-ditert-butyl-4,4-dimethylpent-1-en-2-amine (PubChem CID 159964580) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N,N-ditert-butyl-4,4-dimethylpent-1-en-2-amine.

Molecular Properties

Compound NameN,N-ditert-butyl-4,4-dimethylpent-1-en-2-amine
PubChem CID159964580
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN,N-ditert-butyl-4,4-dimethylpent-1-en-2-amine
SMILESC=C(CC(C)(C)C)N(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H31N/c1-12(11-13(2,3)4)16(14(5,6)7)15(8,9)10/h1,11H2,2-10H3
InChIKeyODTOKBLPXTUGQA-UHFFFAOYSA-N
XLogP4.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,4-dimethylpent-1-en-2-ylhydrazine
CID 162357981
propane;2,4,4-trimethylpent-1-ene
CID 145388380
ethene;2-methylprop-1-ene;2,4,4-trimethylpent-1-ene
CID 160601103
1,1,3,3-tetratert-butylguanidine
CID 121302600
2,6,6-trimethyl-3-methylidenehept-1-en-4-one
CID 169195899
3,6,6-trimethyl-4-methylidenehept-1-ene
CID 71395032
N-tert-butyl-N-(3,3-dimethylbutanoyl)-3,3-dimethylbutanamide
CID 89417425
N,N-ditert-butyl-2,2-dimethylpropanamide
CID 58613636
CID 57417970
CID 57417970
6,6-dimethyl-4-methylidenehept-1-en-2-amine
CID 138485298
2-[(dimethylamino)methyl]-5,5-dimethylhex-1-en-3-one
CID 121355058
2,4,4,6,6,8,8,10,10-nonamethylundec-1-ene
CID 163753121

Frequently Asked Questions

What is the IUPAC name of N,N-ditert-butyl-4,4-dimethylpent-1-en-2-amine?
The IUPAC name of N,N-ditert-butyl-4,4-dimethylpent-1-en-2-amine (CID 159964580) is N,N-ditert-butyl-4,4-dimethylpent-1-en-2-amine.
What is the SMILES notation for N,N-ditert-butyl-4,4-dimethylpent-1-en-2-amine?
The canonical SMILES for N,N-ditert-butyl-4,4-dimethylpent-1-en-2-amine is C=C(CC(C)(C)C)N(C(C)(C)C)C(C)(C)C.
What is the InChIKey of N,N-ditert-butyl-4,4-dimethylpent-1-en-2-amine?
The InChIKey is ODTOKBLPXTUGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-12(11-13(2,3)4)16(14(5,6)7)15(8,9)10/h1,11H2,2-10H3.
What are the key properties of N,N-ditert-butyl-4,4-dimethylpent-1-en-2-amine?
N,N-ditert-butyl-4,4-dimethylpent-1-en-2-amine has a molecular weight of 225.42 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-ditert-butyl-4,4-dimethylpent-1-en-2-amine is sourced from PubChem (CID 159964580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).