5-(2,2-dimethylbutoxy)-N-ethyl-4,4-dimethylpent-1-en-2-amine

C15H31NO — CID 170394665

IUPAC5-(2,2-dimethylbutoxy)-N-ethyl-4,4-dimethylpent-1-en-2-amine
SMILESC=C(CC(C)(C)COCC(C)(C)CC)NCC
InChIInChI=1S/C15H31NO/c1-8-14(4,5)11-17-12-15(6,7)10-13(3)16-9-2/h16H,3,8-12H2,1-2,4-7H3
InChIKeyDWTBNGPNEQFQST-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.98
Rot. Bonds9

About 5-(2,2-dimethylbutoxy)-N-ethyl-4,4-dimethylpent-1-en-2-amine

5-(2,2-dimethylbutoxy)-N-ethyl-4,4-dimethylpent-1-en-2-amine (PubChem CID 170394665) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 5-(2,2-dimethylbutoxy)-N-ethyl-4,4-dimethylpent-1-en-2-amine.

Molecular Properties

Compound Name5-(2,2-dimethylbutoxy)-N-ethyl-4,4-dimethylpent-1-en-2-amine
PubChem CID170394665
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name5-(2,2-dimethylbutoxy)-N-ethyl-4,4-dimethylpent-1-en-2-amine
SMILESC=C(CC(C)(C)COCC(C)(C)CC)NCC
InChIInChI=1S/C15H31NO/c1-8-14(4,5)11-17-12-15(6,7)10-13(3)16-9-2/h16H,3,8-12H2,1-2,4-7H3
InChIKeyDWTBNGPNEQFQST-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-butoxy-3,3-dimethyl-N-propylpent-4-en-1-amine
CID 89938542
4-ethoxy-3,3-dimethyl-N-propylpent-4-en-1-amine
CID 89938639
3-(2,2-dimethylbutoxy)-2,2-dimethyl-N-prop-1-en-2-ylpropan-1-amine
CID 117781380
N-(oxolan-3-ylmethyl)but-1-en-2-amine
CID 129215686
5-ethoxy-N-methylpent-1-en-2-amine
CID 163680481
5-(3,3-dimethylbutoxy)-5-methyl-N-propylhex-1-en-2-amine
CID 166905125
N-(4-ethoxybutyl)-3-methylbut-1-en-2-amine;molecular hydrogen
CID 167520801
5-(3-amino-2,2-dimethylpropoxy)-N-ethyl-4,4-dimethylpent-1-en-2-amine;ethane
CID 170597189
N-but-1-en-2-yl-4-ethoxybutan-1-amine;ethane;methane
CID 177149891
N-propan-2-yl-5-propan-2-yloxypent-1-en-2-amine
CID 178056525
N-[3-(2,2-dimethylpentoxy)-2,2-dimethylpropyl]hex-1-en-2-amine;ethane
CID 178123004
N-[3-(2,2-dimethylbutoxy)-2,2-dimethylpropyl]-5-methylhex-1-en-2-amine
CID 178123007

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylbutoxy)-N-ethyl-4,4-dimethylpent-1-en-2-amine?
The IUPAC name of 5-(2,2-dimethylbutoxy)-N-ethyl-4,4-dimethylpent-1-en-2-amine (CID 170394665) is 5-(2,2-dimethylbutoxy)-N-ethyl-4,4-dimethylpent-1-en-2-amine.
What is the SMILES notation for 5-(2,2-dimethylbutoxy)-N-ethyl-4,4-dimethylpent-1-en-2-amine?
The canonical SMILES for 5-(2,2-dimethylbutoxy)-N-ethyl-4,4-dimethylpent-1-en-2-amine is C=C(CC(C)(C)COCC(C)(C)CC)NCC.
What is the InChIKey of 5-(2,2-dimethylbutoxy)-N-ethyl-4,4-dimethylpent-1-en-2-amine?
The InChIKey is DWTBNGPNEQFQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-8-14(4,5)11-17-12-15(6,7)10-13(3)16-9-2/h16H,3,8-12H2,1-2,4-7H3.
What are the key properties of 5-(2,2-dimethylbutoxy)-N-ethyl-4,4-dimethylpent-1-en-2-amine?
5-(2,2-dimethylbutoxy)-N-ethyl-4,4-dimethylpent-1-en-2-amine has a molecular weight of 241.42 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylbutoxy)-N-ethyl-4,4-dimethylpent-1-en-2-amine is sourced from PubChem (CID 170394665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).