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

C17H35NO — CID 178123021

IUPAC3-(2,2-dimethylpentoxy)-2,2-dimethyl-N-pent-1-en-2-ylpropan-1-amine
SMILESC=C(CCC)NCC(C)(C)COCC(C)(C)CCC
InChIInChI=1S/C17H35NO/c1-8-10-15(3)18-12-17(6,7)14-19-13-16(4,5)11-9-2/h18H,3,8-14H2,1-2,4-7H3
InChIKeyPMZCZVLGZUDPNX-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.76
Rot. Bonds11

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

3-(2,2-dimethylpentoxy)-2,2-dimethyl-N-pent-1-en-2-ylpropan-1-amine (PubChem CID 178123021) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 3-(2,2-dimethylpentoxy)-2,2-dimethyl-N-pent-1-en-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2,2-dimethylpentoxy)-2,2-dimethyl-N-pent-1-en-2-ylpropan-1-amine
PubChem CID178123021
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name3-(2,2-dimethylpentoxy)-2,2-dimethyl-N-pent-1-en-2-ylpropan-1-amine
SMILESC=C(CCC)NCC(C)(C)COCC(C)(C)CCC
InChIInChI=1S/C17H35NO/c1-8-10-15(3)18-12-17(6,7)14-19-13-16(4,5)11-9-2/h18H,3,8-14H2,1-2,4-7H3
InChIKeyPMZCZVLGZUDPNX-UHFFFAOYSA-N
XLogP4.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpentoxy)-2,2-dimethyl-N-pent-1-en-2-ylpropan-1-amine?
The IUPAC name of 3-(2,2-dimethylpentoxy)-2,2-dimethyl-N-pent-1-en-2-ylpropan-1-amine (CID 178123021) is 3-(2,2-dimethylpentoxy)-2,2-dimethyl-N-pent-1-en-2-ylpropan-1-amine.
What is the SMILES notation for 3-(2,2-dimethylpentoxy)-2,2-dimethyl-N-pent-1-en-2-ylpropan-1-amine?
The canonical SMILES for 3-(2,2-dimethylpentoxy)-2,2-dimethyl-N-pent-1-en-2-ylpropan-1-amine is C=C(CCC)NCC(C)(C)COCC(C)(C)CCC.
What is the InChIKey of 3-(2,2-dimethylpentoxy)-2,2-dimethyl-N-pent-1-en-2-ylpropan-1-amine?
The InChIKey is PMZCZVLGZUDPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-8-10-15(3)18-12-17(6,7)14-19-13-16(4,5)11-9-2/h18H,3,8-14H2,1-2,4-7H3.
What are the key properties of 3-(2,2-dimethylpentoxy)-2,2-dimethyl-N-pent-1-en-2-ylpropan-1-amine?
3-(2,2-dimethylpentoxy)-2,2-dimethyl-N-pent-1-en-2-ylpropan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.76, 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 is sourced from PubChem (CID 178123021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).