1-[(2Z)-2-(1-aminoethylidene)-5-propan-2-yloxycyclooctyl]-2-methylpropan-1-amine

C17H34N2O — CID 155056746

IUPAC1-[(2Z)-2-(1-aminoethylidene)-5-propan-2-yloxycyclooctyl]-2-methylpropan-1-amine
SMILESC/C(N)=C1\CCC(OC(C)C)CCCC1C(N)C(C)C
InChIInChI=1S/C17H34N2O/c1-11(2)17(19)16-8-6-7-14(20-12(3)4)9-10-15(16)13(5)18/h11-12,14,16-17H,6-10,18-19H2,1-5H3/b15-13-
InChIKeyMCEAEWOVAGNAOD-SQFISAMPSA-N
MW282.47 g/mol
LogP3.58
Rot. Bonds4

About 1-[(2Z)-2-(1-aminoethylidene)-5-propan-2-yloxycyclooctyl]-2-methylpropan-1-amine

1-[(2Z)-2-(1-aminoethylidene)-5-propan-2-yloxycyclooctyl]-2-methylpropan-1-amine (PubChem CID 155056746) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-[(2Z)-2-(1-aminoethylidene)-5-propan-2-yloxycyclooctyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[(2Z)-2-(1-aminoethylidene)-5-propan-2-yloxycyclooctyl]-2-methylpropan-1-amine
PubChem CID155056746
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name1-[(2Z)-2-(1-aminoethylidene)-5-propan-2-yloxycyclooctyl]-2-methylpropan-1-amine
SMILESC/C(N)=C1\CCC(OC(C)C)CCCC1C(N)C(C)C
InChIInChI=1S/C17H34N2O/c1-11(2)17(19)16-8-6-7-14(20-12(3)4)9-10-15(16)13(5)18/h11-12,14,16-17H,6-10,18-19H2,1-5H3/b15-13-
InChIKeyMCEAEWOVAGNAOD-SQFISAMPSA-N
XLogP3.58
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2Z)-2-(1-aminoethylidene)-5-propan-2-yloxycyclooctyl]-2-methylpropan-1-amine?
The IUPAC name of 1-[(2Z)-2-(1-aminoethylidene)-5-propan-2-yloxycyclooctyl]-2-methylpropan-1-amine (CID 155056746) is 1-[(2Z)-2-(1-aminoethylidene)-5-propan-2-yloxycyclooctyl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[(2Z)-2-(1-aminoethylidene)-5-propan-2-yloxycyclooctyl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[(2Z)-2-(1-aminoethylidene)-5-propan-2-yloxycyclooctyl]-2-methylpropan-1-amine is C/C(N)=C1\CCC(OC(C)C)CCCC1C(N)C(C)C.
What is the InChIKey of 1-[(2Z)-2-(1-aminoethylidene)-5-propan-2-yloxycyclooctyl]-2-methylpropan-1-amine?
The InChIKey is MCEAEWOVAGNAOD-SQFISAMPSA-N. The full InChI is InChI=1S/C17H34N2O/c1-11(2)17(19)16-8-6-7-14(20-12(3)4)9-10-15(16)13(5)18/h11-12,14,16-17H,6-10,18-19H2,1-5H3/b15-13-.
What are the key properties of 1-[(2Z)-2-(1-aminoethylidene)-5-propan-2-yloxycyclooctyl]-2-methylpropan-1-amine?
1-[(2Z)-2-(1-aminoethylidene)-5-propan-2-yloxycyclooctyl]-2-methylpropan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z)-2-(1-aminoethylidene)-5-propan-2-yloxycyclooctyl]-2-methylpropan-1-amine is sourced from PubChem (CID 155056746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).