N-[3-(2,2-dimethylbutoxy)-2,2-dimethylpropyl]-5-methylhex-1-en-2-amine

C18H37NO — CID 178123007

IUPACN-[3-(2,2-dimethylbutoxy)-2,2-dimethylpropyl]-5-methylhex-1-en-2-amine
SMILESC=C(CCC(C)C)NCC(C)(C)COCC(C)(C)CC
InChIInChI=1S/C18H37NO/c1-9-17(5,6)13-20-14-18(7,8)12-19-16(4)11-10-15(2)3/h15,19H,4,9-14H2,1-3,5-8H3
InChIKeyRMAQSNGUYKPTPO-UHFFFAOYSA-N
MW283.50 g/mol
LogP5.00
Rot. Bonds11

About N-[3-(2,2-dimethylbutoxy)-2,2-dimethylpropyl]-5-methylhex-1-en-2-amine

N-[3-(2,2-dimethylbutoxy)-2,2-dimethylpropyl]-5-methylhex-1-en-2-amine (PubChem CID 178123007) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is N-[3-(2,2-dimethylbutoxy)-2,2-dimethylpropyl]-5-methylhex-1-en-2-amine.

Molecular Properties

Compound NameN-[3-(2,2-dimethylbutoxy)-2,2-dimethylpropyl]-5-methylhex-1-en-2-amine
PubChem CID178123007
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC NameN-[3-(2,2-dimethylbutoxy)-2,2-dimethylpropyl]-5-methylhex-1-en-2-amine
SMILESC=C(CCC(C)C)NCC(C)(C)COCC(C)(C)CC
InChIInChI=1S/C18H37NO/c1-9-17(5,6)13-20-14-18(7,8)12-19-16(4)11-10-15(2)3/h15,19H,4,9-14H2,1-3,5-8H3
InChIKeyRMAQSNGUYKPTPO-UHFFFAOYSA-N
XLogP5.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-(3-ethoxy-3-methylbutyl)-3,3-diethylpent-1-en-2-amine
CID 145216621
6-N-[2-[2-(methylamino)ethoxy]ethyl]-2-N-(5-methylhexyl)hepta-1,6-diene-2,6-diamine
CID 154643703
3-methyl-N-[3-(4-methylpentoxy)propyl]but-1-en-2-amine
CID 155455318
N-[1-(2,2-dimethylpropoxy)propan-2-yl]-3,3-dimethylhex-1-en-2-amine
CID 156259745
N-[3-(4-methylpentoxy)propyl]but-1-en-2-amine
CID 156523538
N-[3-(4-ethyl-3,3-dimethylhexoxy)-3-methylbutyl]-5-methylhept-1-en-2-amine
CID 162521988
5-(3,3-dimethylbutoxy)-5-methyl-N-propylhex-1-en-2-amine
CID 166905125
4-methyl-N-[4-[3-(methylamino)propoxy]but-1-en-2-yl]pentan-1-amine
CID 169607569
N-[5-[2-[2-[5-(3,3-dimethylbut-1-en-2-ylamino)pentoxy]ethoxy]ethoxy]pentyl]-5,5-dimethylhex-1-en-2-amine
CID 170044808
5-(2,2-dimethylbutoxy)-N-ethyl-4,4-dimethylpent-1-en-2-amine
CID 170394665
5-(3-amino-2,2-dimethylpropoxy)-N-ethyl-4,4-dimethylpent-1-en-2-amine;ethane
CID 170597189
3,3,5,5-tetramethyl-N-[3-methyl-3-[3-methyl-3-(3-methylbutoxy)butoxy]butyl]hept-1-en-2-amine
CID 172240928

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-dimethylbutoxy)-2,2-dimethylpropyl]-5-methylhex-1-en-2-amine?
The IUPAC name of N-[3-(2,2-dimethylbutoxy)-2,2-dimethylpropyl]-5-methylhex-1-en-2-amine (CID 178123007) is N-[3-(2,2-dimethylbutoxy)-2,2-dimethylpropyl]-5-methylhex-1-en-2-amine.
What is the SMILES notation for N-[3-(2,2-dimethylbutoxy)-2,2-dimethylpropyl]-5-methylhex-1-en-2-amine?
The canonical SMILES for N-[3-(2,2-dimethylbutoxy)-2,2-dimethylpropyl]-5-methylhex-1-en-2-amine is C=C(CCC(C)C)NCC(C)(C)COCC(C)(C)CC.
What is the InChIKey of N-[3-(2,2-dimethylbutoxy)-2,2-dimethylpropyl]-5-methylhex-1-en-2-amine?
The InChIKey is RMAQSNGUYKPTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-9-17(5,6)13-20-14-18(7,8)12-19-16(4)11-10-15(2)3/h15,19H,4,9-14H2,1-3,5-8H3.
What are the key properties of N-[3-(2,2-dimethylbutoxy)-2,2-dimethylpropyl]-5-methylhex-1-en-2-amine?
N-[3-(2,2-dimethylbutoxy)-2,2-dimethylpropyl]-5-methylhex-1-en-2-amine has a molecular weight of 283.50 g/mol, XLogP of 5.00, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-dimethylbutoxy)-2,2-dimethylpropyl]-5-methylhex-1-en-2-amine is sourced from PubChem (CID 178123007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).