3-(2,2-dimethylpentoxy)-2,2-dimethyl-N-pent-1-en-2-ylpropan-1-amine;propane

C20H43NO — CID 178123020

IUPAC3-(2,2-dimethylpentoxy)-2,2-dimethyl-N-pent-1-en-2-ylpropan-1-amine;propane
SMILESC=C(CCC)NCC(C)(C)COCC(C)(C)CCC.CCC
InChIInChI=1S/C17H35NO.C3H8/c1-8-10-15(3)18-12-17(6,7)14-19-13-16(4,5)11-9-2;1-3-2/h18H,3,8-14H2,1-2,4-7H3;3H2,1-2H3
InChIKeyFBTKTTKJUUGRNK-UHFFFAOYSA-N
MW313.57 g/mol
LogP6.18
Rot. Bonds11

About 3-(2,2-dimethylpentoxy)-2,2-dimethyl-N-pent-1-en-2-ylpropan-1-amine;propane

3-(2,2-dimethylpentoxy)-2,2-dimethyl-N-pent-1-en-2-ylpropan-1-amine;propane (PubChem CID 178123020) has the molecular formula C20H43NO and a molecular weight of 313.57 g/mol. Its IUPAC name is 3-(2,2-dimethylpentoxy)-2,2-dimethyl-N-pent-1-en-2-ylpropan-1-amine;propane.

Molecular Properties

Compound Name3-(2,2-dimethylpentoxy)-2,2-dimethyl-N-pent-1-en-2-ylpropan-1-amine;propane
PubChem CID178123020
Molecular FormulaC20H43NO
Molecular Weight313.57 g/mol
Exact Mass313.33
IUPAC Name3-(2,2-dimethylpentoxy)-2,2-dimethyl-N-pent-1-en-2-ylpropan-1-amine;propane
SMILESC=C(CCC)NCC(C)(C)COCC(C)(C)CCC.CCC
InChIInChI=1S/C17H35NO.C3H8/c1-8-10-15(3)18-12-17(6,7)14-19-13-16(4,5)11-9-2;1-3-2/h18H,3,8-14H2,1-2,4-7H3;3H2,1-2H3
InChIKeyFBTKTTKJUUGRNK-UHFFFAOYSA-N
XLogP6.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.57
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[4-(5-methylhexoxy)butyl]but-1-en-2-amine
CID 142616528
ethane;N-(3-ethoxy-3-methylbutyl)-3,3-diethylpent-1-en-2-amine
CID 145216621
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
ethane;N,2,2-trimethyl-3-(2,2,4-trimethylpent-4-enoxy)propan-1-amine
CID 168251685
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
ethane;3-ethoxy-2,2,4,4-tetramethyl-N-(3-methylbut-1-en-2-yl)cyclobutan-1-amine
CID 176554641

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpentoxy)-2,2-dimethyl-N-pent-1-en-2-ylpropan-1-amine;propane?
The IUPAC name of 3-(2,2-dimethylpentoxy)-2,2-dimethyl-N-pent-1-en-2-ylpropan-1-amine;propane (CID 178123020) is 3-(2,2-dimethylpentoxy)-2,2-dimethyl-N-pent-1-en-2-ylpropan-1-amine;propane.
What is the SMILES notation for 3-(2,2-dimethylpentoxy)-2,2-dimethyl-N-pent-1-en-2-ylpropan-1-amine;propane?
The canonical SMILES for 3-(2,2-dimethylpentoxy)-2,2-dimethyl-N-pent-1-en-2-ylpropan-1-amine;propane is C=C(CCC)NCC(C)(C)COCC(C)(C)CCC.CCC.
What is the InChIKey of 3-(2,2-dimethylpentoxy)-2,2-dimethyl-N-pent-1-en-2-ylpropan-1-amine;propane?
The InChIKey is FBTKTTKJUUGRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO.C3H8/c1-8-10-15(3)18-12-17(6,7)14-19-13-16(4,5)11-9-2;1-3-2/h18H,3,8-14H2,1-2,4-7H3;3H2,1-2H3.
What are the key properties of 3-(2,2-dimethylpentoxy)-2,2-dimethyl-N-pent-1-en-2-ylpropan-1-amine;propane?
3-(2,2-dimethylpentoxy)-2,2-dimethyl-N-pent-1-en-2-ylpropan-1-amine;propane has a molecular weight of 313.57 g/mol, XLogP of 6.18, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpentoxy)-2,2-dimethyl-N-pent-1-en-2-ylpropan-1-amine;propane is sourced from PubChem (CID 178123020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).